RDKit 3D 100108 0 0 0 0 0 0 0 0999 V2000 5.1575 0.5166 3.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0456 0.5545 2.0965 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5805 0.6735 0.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1969 0.7590 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7403 0.8777 -0.7204 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6989 0.9084 -1.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0454 0.8245 -1.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5032 0.7036 -0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8633 0.6206 -0.0083 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 1.0861 -3.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 2.3286 -2.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 1.9614 -2.1095 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3415 0.9467 -1.1010 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3833 1.3187 0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1954 0.0512 1.2724 S 0 0 0 0 0 4 0 0 0 0 0 0 0.9992 0.8687 2.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -0.8810 1.0941 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0833 -2.0890 0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6349 -3.1884 0.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1965 -3.2379 1.8792 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4385 -3.7759 2.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -3.8673 4.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7271 -4.2150 2.7236 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8402 -4.2799 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -5.4655 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2929 -4.2434 -1.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4277 -3.1358 -1.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6306 -2.0357 -1.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4275 -0.8967 -1.5277 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5493 -0.0745 -2.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7692 -0.4369 -2.5052 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8497 -0.3390 -1.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5376 -1.3566 -1.4442 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1009 -0.1422 -0.5053 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 -0.4163 -0.4977 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8410 -1.8154 -1.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2405 -0.3280 0.7808 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1867 0.8720 0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1740 1.9937 0.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6825 3.1744 0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8952 4.2726 0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4305 5.5510 -0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 4.2178 0.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 5.3726 0.4968 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 5.5231 -0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1499 3.0311 1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8688 3.0220 1.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8861 1.8528 1.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 0.6004 1.6775 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6311 -0.3726 0.8263 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6075 -0.0709 2.0173 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3894 -1.1992 2.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -3.3775 -3.1726 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3284 -4.5979 -3.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3111 -5.1468 -2.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3933 1.3050 3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6534 -0.4703 3.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6937 0.6428 4.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5114 0.7415 1.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7572 0.8512 -2.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3073 0.5317 0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9334 1.3205 -3.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5109 0.2521 -3.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9001 2.6785 -3.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 3.1044 -2.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3637 1.6831 -2.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4282 1.6612 -0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8509 2.2601 0.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3542 -1.3895 2.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2214 -4.9125 4.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8703 -3.2075 4.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2423 -3.4434 5.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6891 -5.3450 -0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5303 -5.5558 1.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2507 -6.4002 -0.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -1.3647 -2.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9198 -0.1801 -3.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7822 1.0050 -2.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9207 0.2746 -1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0610 -2.5473 -0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1609 -1.7911 -2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7583 -2.2387 -0.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9579 -1.1875 0.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6914 0.7629 -0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8481 0.9570 1.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6994 3.2531 -0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4465 5.7599 -0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5910 5.3964 -1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7748 6.3844 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1842 6.1723 -0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7947 4.5202 -1.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 5.9659 -1.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2527 3.8017 1.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8656 0.7659 2.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1791 -1.4141 0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4677 -2.1757 2.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3969 -1.1292 3.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -1.1432 3.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1597 -5.2306 -4.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3829 -4.4233 -4.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 10 1 0 10 11 1 0 11 12 1 0 13 12 1 6 13 14 1 0 15 14 1 6 15 16 2 0 15 17 1 0 17 50 1 0 50 49 1 0 49 51 1 0 51 52 1 0 51 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 41 43 2 0 43 44 1 0 44 45 1 0 43 46 1 0 46 47 1 0 46 48 2 0 37 35 1 0 35 36 1 0 35 34 1 0 34 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 29 28 1 0 28 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 2 0 19 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 27 53 1 0 53 54 1 0 54 55 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 3 2 0 13 5 1 0 32 13 1 0 27 28 1 0 18 17 1 0 55 26 1 0 34 50 1 0 48 49 1 0 48 39 1 0 1 56 1 0 1 57 1 0 1 58 1 0 4 59 1 0 10 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 14 67 1 0 14 68 1 0 17 69 1 1 50 95 1 1 49 94 1 1 52 96 1 0 52 97 1 0 52 98 1 0 37 83 1 1 38 84 1 0 38 85 1 0 40 86 1 0 42 87 1 0 42 88 1 0 42 89 1 0 45 90 1 0 45 91 1 0 45 92 1 0 47 93 1 0 35 79 1 6 36 80 1 0 36 81 1 0 36 82 1 0 29 76 1 6 30 77 1 0 30 78 1 0 22 70 1 0 22 71 1 0 22 72 1 0 25 73 1 0 25 74 1 0 25 75 1 0 54 99 1 0 54100 1 0 7 60 1 0 9 61 1 0 M END