RDKit 3D 52 56 0 0 0 0 0 0 0 0999 V2000 -5.5342 2.0350 -1.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2880 1.2203 -1.2153 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7522 1.8025 -0.0117 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4279 1.5890 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5314 0.7015 -0.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2572 0.7355 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8572 -0.0145 -0.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 -0.9441 -1.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -1.5354 -1.6206 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8153 -0.9870 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1824 -1.2729 -0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9387 -0.6042 0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3725 -0.8931 0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2521 -0.8752 -0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5943 -1.1518 -0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1199 -1.4444 0.9134 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2633 -1.4600 1.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9066 -1.1952 1.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2905 0.3466 1.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9256 0.6464 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1894 -0.0371 0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1499 1.8126 1.3788 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8029 2.2610 1.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3126 3.2356 2.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6353 3.5616 2.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6545 3.7792 3.1085 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6697 -0.2406 -1.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1445 -0.6851 0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5080 -2.0181 0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4108 -2.9319 -0.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9557 -2.5112 -1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5915 -1.1761 -2.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0471 -0.7404 -3.6513 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.2718 2.0108 -0.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2680 3.0878 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0132 1.6676 -2.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5666 1.3599 -2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 0.0708 -1.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1064 -1.1558 -1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6313 -2.0268 -1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9049 -0.6389 -1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3021 -1.1434 -1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7081 -1.7002 2.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2784 -1.2381 2.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8556 0.8927 1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4912 1.3979 1.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 3.1637 1.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0134 4.2500 2.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2335 0.0092 1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8678 -2.3420 1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6943 -3.9702 -0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8889 -3.2312 -2.6774 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 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 12 19 2 0 19 20 1 0 20 21 2 0 6 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 2 0 2 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 18 13 1 0 21 7 1 0 21 10 1 0 23 4 2 0 32 27 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 6 5 38 1 0 8 39 1 0 11 40 1 0 14 41 1 0 15 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 20 46 1 0 25 47 1 0 25 48 1 0 28 49 1 0 29 50 1 0 30 51 1 0 31 52 1 0 M END