RDKit 3D 54 57 0 0 0 0 0 0 0 0999 V2000 -2.6526 2.5530 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9515 1.3442 0.4497 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1882 0.5781 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4777 -0.4682 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5977 -0.8453 1.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0616 -1.7779 1.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5144 -0.1800 2.2282 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1328 0.8365 1.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3350 1.5546 2.8088 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4731 0.1374 2.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0691 -0.2219 1.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1289 0.5238 1.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6335 0.2268 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0779 -0.8112 -0.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0266 -1.5567 -0.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5308 -1.2768 0.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3134 -2.8143 -1.3798 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4259 -1.3052 -0.8435 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0379 -1.2916 -2.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5373 0.0597 -2.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5117 0.4273 -3.9139 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1139 0.8468 -1.7828 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 -0.9190 -0.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4549 0.2213 -1.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8043 0.5370 -1.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6235 -0.2672 -0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0791 -1.3968 0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7298 -1.7166 0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9184 0.1593 -0.1863 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7903 -0.6275 0.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1934 -0.0259 0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1823 -0.6386 1.0343 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2902 1.2734 0.2326 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 3.0619 -0.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6601 2.3044 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7206 3.3021 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9584 -0.7233 3.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2797 0.3991 3.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5627 1.3472 1.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4568 0.8089 -0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4677 -1.0326 -1.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7108 -1.8704 1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3305 -2.3567 -0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8794 -1.9854 -2.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7618 -1.6155 -2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5477 1.6772 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 0.8890 -1.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2168 1.4238 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6663 -2.0529 0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3289 -2.5982 0.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8783 -1.6379 0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4352 -0.6529 1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 1.6691 0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5234 1.6841 -0.2870 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 5 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 2 0 15 17 1 0 4 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 18 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 8 2 1 0 22 3 1 0 16 11 1 0 28 23 1 0 1 34 1 0 1 35 1 0 1 36 1 0 10 37 1 0 10 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 16 42 1 0 18 43 1 1 19 44 1 0 19 45 1 0 22 46 1 0 24 47 1 0 25 48 1 0 27 49 1 0 28 50 1 0 30 51 1 0 30 52 1 0 33 53 1 0 33 54 1 0 M END