Mrv1652307042107263D 191192 0 0 0 0 999 V2000 13.1997 -1.9704 -3.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6428 -0.9228 -2.3281 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1800 -0.5554 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3740 -1.1628 -0.7600 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5853 0.4731 -0.4592 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3929 1.1612 0.4895 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6933 2.1784 1.3036 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5910 1.7280 2.1843 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4602 1.1029 1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1209 -0.1491 1.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0151 -0.8234 1.0199 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9795 -1.2687 2.0623 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4555 -0.1061 2.8195 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7736 0.9609 1.9902 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3512 2.0236 2.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6203 0.3293 1.2889 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7964 1.1804 0.3923 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1165 2.3479 0.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8563 0.2646 -0.3741 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9803 -0.4318 0.4465 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0649 -1.5620 1.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -1.6268 2.4191 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5214 -2.8441 0.5895 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4503 -2.9065 -0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6651 -3.9935 1.1479 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4794 -5.0968 1.2223 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4922 -4.1799 0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 -5.2610 0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 -5.9712 1.7163 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4419 -7.2176 1.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8461 -6.3747 1.8920 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1397 -7.5709 1.2497 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7263 -5.2391 1.4462 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1111 -5.8037 1.2104 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4472 -5.8415 -0.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 -4.8956 1.9473 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0192 -5.1732 3.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4943 -5.2286 1.4417 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0145 -6.2569 2.2189 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3294 -3.9689 1.5943 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4555 -3.8879 0.6181 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4212 -2.6957 -0.2855 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0848 -2.6411 -0.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7418 -1.3879 0.4124 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4085 -1.6637 1.6433 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7694 -1.3334 2.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6286 -0.8058 2.7768 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3541 -1.5680 4.1478 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.7014 -2.1456 4.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7055 -1.4052 4.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9063 -3.5111 4.1098 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6470 -0.5314 -0.4413 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.9135 0.5145 -1.2347 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5325 0.3811 -1.1142 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2067 1.7896 -0.6954 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5847 2.7300 -1.5378 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2472 3.9859 -0.7837 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0903 4.7457 -1.3852 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1189 6.1105 -1.0084 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2045 7.1589 -1.9142 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2548 6.8694 -3.1171 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2307 8.5374 -1.3945 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2372 8.5347 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2315 7.4465 0.6881 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2504 9.7332 0.7582 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8066 4.0752 -0.9426 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6290 4.5620 -1.7606 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8780 4.2370 -3.1055 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3236 3.9746 -1.2893 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2770 4.1934 -2.3479 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8365 4.9968 -3.3417 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0387 4.8468 -1.8470 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3300 5.9841 -2.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 3.9469 -1.7475 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2720 4.7443 -1.3661 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 3.2541 -3.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0407 2.0245 -3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8082 1.0470 -2.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7116 0.9176 -1.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1707 0.9769 -1.5156 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5721 0.2837 -2.8031 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5495 2.9775 -2.6794 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.1256 1.6573 -3.1001 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.4270 1.4989 -2.6025 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2921 0.4707 -2.7015 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1951 0.2993 -3.5357 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1701 -1.7273 -4.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2543 -2.1005 -2.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7053 -2.9512 -2.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2931 -0.6824 -0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3026 -2.1624 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5982 0.6860 -0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8800 0.4247 1.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2189 1.6959 -0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2471 2.9240 0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4561 2.6972 1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1633 2.6442 2.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9250 1.0910 3.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9211 1.6866 0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7092 -0.6768 2.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5633 -0.1784 0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3755 -1.7316 0.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2237 -1.8734 1.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5418 -1.9499 2.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7397 -0.5016 3.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2711 0.3551 3.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5536 1.3488 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8327 1.8542 4.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2759 1.8659 3.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6501 3.0374 2.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -0.5338 0.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0248 -0.1799 2.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5039 1.6105 -0.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8466 3.1452 1.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4696 2.8327 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3989 2.1307 1.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5535 -0.5345 -0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5809 -3.0158 0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7487 -2.1776 -1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0759 -3.9063 -1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4669 -2.8477 -1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3664 -3.6478 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3147 -4.9555 1.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2422 -3.4404 -0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -5.6264 -0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8637 -5.3086 2.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9662 -7.3247 0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1729 -7.2685 2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8038 -8.1437 1.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0699 -6.5263 2.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5547 -7.4654 0.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4017 -4.7759 0.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7212 -4.4509 2.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2113 -6.8351 1.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9018 -5.2205 -0.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7945 -3.8617 1.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2111 -4.5660 3.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9618 -4.8241 3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8582 -6.2538 3.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4878 -5.5355 0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9966 -6.2256 2.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6631 -3.0939 1.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7719 -4.0422 2.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4462 -4.0224 1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3652 -4.7885 -0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2388 -2.8532 -1.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3464 -2.0346 -0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6923 -3.6806 -1.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1911 -2.1900 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7489 -0.9036 0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6673 -2.2615 4.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3555 -0.6128 4.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8098 -3.9389 4.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1572 -1.2021 -1.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4599 -0.0503 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2316 0.8500 -0.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6611 2.2668 -1.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1501 4.6264 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9965 3.6882 0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1616 4.6852 -2.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4183 9.1693 -1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1935 9.0131 -1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9576 9.9221 1.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9144 2.9972 -1.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5774 4.2804 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 5.6592 -1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3201 4.9721 -3.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4362 2.9026 -1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0034 4.5684 -0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0607 3.2187 -2.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1146 5.8820 -3.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2803 5.3134 -0.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2597 5.5806 -3.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3577 6.8280 -2.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3627 6.3063 -2.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9886 3.2566 -0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7906 4.8840 -2.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0178 3.7611 -3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8686 1.7876 -4.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1003 0.4173 -2.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 0.7483 -0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4558 2.0243 -1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8835 -0.5424 -3.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7287 0.9946 -3.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5615 -0.1845 -2.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3662 3.6286 -2.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0514 3.4964 -3.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2095 1.6271 -4.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6075 2.1204 -1.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9359 -0.4358 -2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3934 0.0421 -3.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 44 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 6 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 60 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 63 65 1 0 0 0 0 58 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 70 72 1 0 0 0 0 72 73 1 0 0 0 0 72 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 1 0 0 0 0 76 77 2 0 0 0 0 77 78 1 0 0 0 0 78 79 2 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 56 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 85 1 0 0 0 0 85 86 1 0 0 0 0 80 19 1 0 0 0 0 85 53 1 0 0 0 0 1 87 1 0 0 0 0 1 88 1 0 0 0 0 1 89 1 0 0 0 0 4 90 1 0 0 0 0 4 91 1 0 0 0 0 5 92 1 0 0 0 0 6 93 1 0 0 0 0 6 94 1 0 0 0 0 7 95 1 0 0 0 0 7 96 1 0 0 0 0 8 97 1 0 0 0 0 8 98 1 0 0 0 0 9 99 1 0 0 0 0 10100 1 0 0 0 0 11101 1 0 0 0 0 11102 1 0 0 0 0 12103 1 0 0 0 0 12104 1 0 0 0 0 13105 1 0 0 0 0 13106 1 0 0 0 0 14107 1 6 0 0 0 15108 1 0 0 0 0 15109 1 0 0 0 0 15110 1 0 0 0 0 16111 1 0 0 0 0 16112 1 0 0 0 0 17113 1 6 0 0 0 18114 1 0 0 0 0 18115 1 0 0 0 0 18116 1 0 0 0 0 19117 1 6 0 0 0 23118 1 6 0 0 0 24119 1 0 0 0 0 24120 1 0 0 0 0 24121 1 0 0 0 0 25122 1 1 0 0 0 26123 1 0 0 0 0 27124 1 0 0 0 0 28125 1 0 0 0 0 29126 1 1 0 0 0 30127 1 0 0 0 0 30128 1 0 0 0 0 30129 1 0 0 0 0 31130 1 1 0 0 0 32131 1 0 0 0 0 33132 1 0 0 0 0 33133 1 0 0 0 0 34134 1 1 0 0 0 35135 1 0 0 0 0 36136 1 1 0 0 0 37137 1 0 0 0 0 37138 1 0 0 0 0 37139 1 0 0 0 0 38140 1 6 0 0 0 39141 1 0 0 0 0 40142 1 0 0 0 0 40143 1 0 0 0 0 41144 1 0 0 0 0 41145 1 0 0 0 0 42146 1 6 0 0 0 43147 1 0 0 0 0 43148 1 0 0 0 0 43149 1 0 0 0 0 44150 1 1 0 0 0 48151 1 0 0 0 0 48152 1 0 0 0 0 51153 1 0 0 0 0 52154 1 0 0 0 0 52155 1 0 0 0 0 54156 1 0 0 0 0 56157 1 6 0 0 0 57158 1 0 0 0 0 57159 1 0 0 0 0 58160 1 6 0 0 0 62161 1 0 0 0 0 62162 1 0 0 0 0 65163 1 0 0 0 0 66164 1 0 0 0 0 66165 1 0 0 0 0 67166 1 6 0 0 0 68167 1 0 0 0 0 69168 1 0 0 0 0 69169 1 0 0 0 0 70170 1 6 0 0 0 71171 1 0 0 0 0 72172 1 1 0 0 0 73173 1 0 0 0 0 73174 1 0 0 0 0 73175 1 0 0 0 0 74176 1 1 0 0 0 75177 1 0 0 0 0 76178 1 0 0 0 0 77179 1 0 0 0 0 78180 1 0 0 0 0 79181 1 0 0 0 0 80182 1 6 0 0 0 81183 1 0 0 0 0 81184 1 0 0 0 0 81185 1 0 0 0 0 82186 1 0 0 0 0 82187 1 0 0 0 0 83188 1 6 0 0 0 84189 1 0 0 0 0 85190 1 1 0 0 0 86191 1 0 0 0 0 M END > NP0017455 > NP-MRD > [H]OC(=O)C([H])([H])C(=O)O[C@]1([H])C([H])([H])[C@@]2([H])O[C@@](O[H])(C([H])([H])[C@@]([H])(OC(=O)C([H])([H])C(=O)O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(\C([H])=C([H])/[C@@]([H])(O[H])[C@]([H])(C(=O)O[C@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N\C([H])([H])[H])\N([H])[H])[C@]([H])(\C([H])=C(\[H])/C(/[H])=C([H])\[C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C1([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])C2([H])[H] > InChI=1S/C62H105N3O21/c1-35(18-14-12-10-11-13-17-25-65-61(63)64-9)26-39(5)58-38(4)19-15-16-20-46(67)40(6)50(71)28-43(66)27-44(83-56(78)32-54(74)75)29-45-30-52(73)59(80)62(82,86-45)34-53(84-57(79)33-55(76)77)37(3)22-24-47(68)41(7)51(72)31-49(70)36(2)21-23-48(69)42(8)60(81)85-58/h10-11,15-16,19-21,23,35-53,58-59,66-73,80,82H,12-14,17-18,22,24-34H2,1-9H3,(H,74,75)(H,76,77)(H3,63,64,65)/b11-10+,19-15-,20-16-,23-21-/t35-,36-,37-,38-,39-,40+,41+,42+,43-,44-,45+,46+,47-,48+,49+,50+,51-,52-,53+,58-,59+,62-/m0/s1 > WFKYQJAZFRLVJR-YXHZPLMJSA-N > C62H105N3O21 > 1228.522 > 1227.724057413 > 21 > 191 > 134.084399993734 > 0 > 14 > 0 > 0 > 3-{[(1S,3S,5R,7R,8S,9R,10Z,12Z,14S,15R,18R,19R,20Z,22S,23R,25S,26R,27S,30S,31R,33S,34R,35S)-3-[(2-carboxyacetyl)oxy]-5,7,9,19,23,25,27,33,34,35-decahydroxy-8,14,18,22,26,30-hexamethyl-15-[(2S,4S,8E)-4-methyl-12-[(E)-N''-methylcarbamimidamido]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-31-yl]oxy}-3-oxopropanoic acid > 1.85 > 1.42799834549022 > -4.80 > 0 > 2 > -1 > 3.569407951854185 > 2.960301389884742 > 12.028800866974825 > 415.44000000000005 > 321.1936999999999 > 19 > 0 > 1.95e-02 g/l > 3-{[(1S,3S,5R,7R,8S,9R,10Z,12Z,14S,15R,18R,19R,20Z,22S,23R,25S,26R,27S,30S,31R,33S,34R,35S)-3-[(2-carboxyacetyl)oxy]-5,7,9,19,23,25,27,33,34,35-decahydroxy-8,14,18,22,26,30-hexamethyl-15-[(2S,4S,8E)-4-methyl-12-[(E)-N''-methylcarbamimidamido]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-31-yl]oxy}-3-oxopropanoic acid > 0 > NP0017455 > Niphimycin E $$$$