RDKit 3D 113116 0 0 0 0 0 0 0 0999 V2000 8.7770 -2.4118 1.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -1.6321 0.5393 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5770 -2.4835 0.4474 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1005 -1.3243 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3604 -0.5246 -0.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -0.2215 0.1635 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8986 -0.0655 -2.1237 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1099 0.7025 -2.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2437 -0.0521 -1.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0597 -1.2094 -1.1349 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4804 0.5405 -1.4995 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3285 -0.3729 1.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2740 0.3313 0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5397 1.1940 -0.3961 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9312 0.0546 0.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8754 0.7044 -0.0317 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2177 -0.3483 -0.8487 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9478 -0.4876 -2.0543 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7988 -0.0508 -1.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0368 0.1757 0.0592 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2373 -1.0289 0.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 0.3020 -0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1576 1.3083 0.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 2.3690 1.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 1.8587 1.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5586 1.4445 0.6205 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0208 1.4373 0.9379 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2866 0.9408 2.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4668 2.9091 0.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 1.2747 -0.0622 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8234 1.6070 -1.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4552 2.1635 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8192 1.5455 0.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5906 0.1079 0.0951 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4991 -0.7538 0.8426 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4494 -2.2165 0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4052 -2.8309 1.4192 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9497 -0.3093 0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3374 -0.3757 -0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7353 0.0761 -1.1711 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.8805 -0.0798 -2.5911 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8480 -0.7344 -0.5971 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.1727 -0.3199 -1.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0735 -0.4822 0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7012 -2.0761 -0.8511 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1188 -0.0985 0.3424 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7985 -0.3322 1.7825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4667 -1.1099 -0.5135 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2718 -1.4781 -1.5791 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -0.7250 -1.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0442 -1.9525 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3953 -3.4218 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6577 -2.4942 0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5443 -2.9359 -0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2119 -2.2454 -1.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3182 -0.7339 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4260 -0.2787 -3.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3858 0.9944 -3.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9302 1.6355 -1.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3495 0.0087 -1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9061 -0.6324 2.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1706 0.3078 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3972 1.4128 -0.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2907 -1.3731 -0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7655 0.2688 -2.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8011 0.9030 -1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4131 -0.8982 -1.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 -1.1436 1.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4452 -1.1232 1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -1.9282 0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2682 2.7483 1.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3257 3.2331 0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3916 0.9609 2.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1545 2.6351 2.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4157 2.2322 -0.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 0.0928 2.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3431 0.6899 2.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7707 1.7314 2.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9914 3.1573 -0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1782 3.1204 1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6244 3.5921 1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8604 2.0173 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5467 2.4667 -1.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2267 0.7938 -2.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4008 3.1920 0.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2084 2.1635 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4078 2.1075 -0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3596 1.6441 1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7520 0.0521 -1.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3415 -0.5808 1.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4886 -2.6992 0.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6970 -2.5255 -0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4516 -2.3683 2.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6122 -0.9942 1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0523 0.6880 1.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1009 -1.3445 -1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6715 0.3586 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9125 1.1439 -0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4059 0.6424 -3.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8722 -1.1350 -1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5147 0.6347 -0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9278 -0.2226 -2.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4781 0.3647 1.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8694 -1.3737 1.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1822 -0.2538 1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4576 -2.5111 -1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7744 -0.0190 2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4848 0.1948 2.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8616 -1.4184 2.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3098 -2.0535 0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4706 -2.4401 -1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -1.6125 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 -0.3874 -2.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 6 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 2 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 1 20 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 1 27 29 1 0 23 30 1 0 30 31 1 6 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 35 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 42 44 1 0 42 45 1 1 34 46 1 0 46 47 1 1 46 48 1 0 48 49 1 0 48 50 1 0 27 16 1 0 46 30 1 0 26 20 1 0 50 22 1 0 1 51 1 0 1 52 1 0 1 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 11 60 1 0 12 61 1 0 12 62 1 0 16 63 1 6 17 64 1 1 18 65 1 0 19 66 1 0 19 67 1 0 21 68 1 0 21 69 1 0 21 70 1 0 24 71 1 0 24 72 1 0 25 73 1 0 25 74 1 0 26 75 1 6 28 76 1 0 28 77 1 0 28 78 1 0 29 79 1 0 29 80 1 0 29 81 1 0 31 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 6 35 90 1 1 36 91 1 0 36 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 6 41 99 1 0 43100 1 0 43101 1 0 43102 1 0 44103 1 0 44104 1 0 44105 1 0 45106 1 0 47107 1 0 47108 1 0 47109 1 0 48110 1 1 49111 1 0 50112 1 0 50113 1 0 M END