RDKit 3D 63 69 0 0 0 0 0 0 0 0999 V2000 6.5269 0.9074 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3747 0.2745 0.4022 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2065 0.9498 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2908 2.3195 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1673 3.0131 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9846 2.3813 -0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 1.0061 -0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0685 0.3052 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2199 -1.1037 -0.4003 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2334 -2.0842 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9823 -1.9140 0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1238 -2.9941 0.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5858 -4.2443 0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8192 -4.4495 -0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6227 -3.3433 -0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8855 -3.5723 -1.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2918 -3.0496 1.0696 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4272 -3.2159 2.4417 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2351 -2.0407 0.5851 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9116 -2.4301 1.1964 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9217 -0.5632 0.7027 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6836 0.1893 -0.3971 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2618 -0.9086 -1.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6786 -0.9148 -2.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3884 -1.9155 -0.8448 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6853 -2.7881 -1.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0765 1.4452 -1.0077 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4128 1.7594 -0.9838 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 2.4157 -0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6291 3.5772 0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8552 4.4913 1.0667 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8882 4.0306 1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0066 3.0949 1.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 2.3572 0.4428 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4116 3.3321 -0.5532 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9378 3.4049 -0.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2484 4.5193 -1.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9699 1.6394 -0.0872 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4076 0.3922 0.3631 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -0.6382 1.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5557 -0.7190 2.3484 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8285 1.6734 0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2914 1.4024 1.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3040 0.1575 1.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1822 2.8267 0.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2559 4.1118 -0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0288 0.4624 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6623 -0.9020 0.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0599 -5.1491 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1305 -5.4442 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1146 -4.4991 -1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 -4.0063 0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8389 -3.9806 2.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6204 -2.5641 -1.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8452 -3.8356 -1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1516 -2.8053 -2.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6642 1.5309 -2.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7411 1.8731 -1.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6347 3.8645 0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8904 4.4746 2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3055 2.8251 2.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0214 1.6279 0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6845 1.4398 -1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 12 17 1 0 17 18 1 0 17 19 1 0 19 20 1 1 20 21 1 0 22 21 1 1 22 27 1 0 27 28 1 0 27 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 34 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 8 3 1 0 15 10 2 0 40 19 1 0 36 6 1 0 25 19 1 0 39 22 1 0 38 29 1 0 1 42 1 0 1 43 1 0 1 44 1 0 4 45 1 0 5 46 1 0 7 47 1 0 11 48 1 0 13 49 1 0 14 50 1 0 16 51 1 0 17 52 1 6 18 53 1 0 27 57 1 6 28 58 1 0 30 59 1 0 32 60 1 0 33 61 1 0 34 62 1 1 38 63 1 6 26 54 1 0 26 55 1 0 26 56 1 0 M END