RDKit 3D 52 56 0 0 0 0 0 0 0 0999 V2000 4.0105 1.9107 -0.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1519 1.0999 -1.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 -0.2569 -1.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3939 -0.8067 -0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2452 -0.0027 0.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5586 1.3656 0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7178 -0.5384 1.7954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2652 -0.6029 1.7992 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 -1.7609 1.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0358 -2.8715 2.1829 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9015 -1.4607 1.9976 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6867 -1.9789 0.7957 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7666 -0.7981 -0.1079 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.6909 0.4587 0.6681 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9587 0.0731 1.9528 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4756 0.4914 1.9821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 1.6373 2.1892 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2454 1.6265 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0986 1.8014 -0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0477 2.9936 -1.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9502 3.9826 -1.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1181 3.7919 -0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2384 2.6097 -0.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3293 2.1989 0.5770 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1236 0.9352 1.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9102 0.2981 1.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1339 -3.2326 0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9383 -3.7141 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1163 -2.4929 -2.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -1.9250 -2.3873 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2481 -1.9314 -1.9124 O 0 0 0 0 0 1 0 0 0 0 0 0 3.0270 -2.4921 -0.6411 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2464 2.9707 -0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5004 1.5216 -2.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -0.8838 -2.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4384 2.0250 1.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1517 -1.5203 2.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 0.1206 2.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -1.8429 2.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7204 -2.1730 1.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6595 -0.8559 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0802 -0.8591 -0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4363 0.4593 2.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6735 1.0408 -0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9409 3.1517 -2.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8157 4.8974 -2.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8989 4.5443 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1908 2.7164 0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0902 -4.0585 0.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1015 -3.0501 -0.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 -4.1147 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3982 -4.4982 -1.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 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 11 12 1 0 12 13 1 0 14 13 1 6 14 15 1 0 15 16 1 0 16 17 2 0 14 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 2 0 12 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 4 32 1 0 6 1 1 0 16 8 1 0 15 11 1 0 25 14 1 0 23 18 1 0 1 33 1 0 2 34 1 0 3 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 11 39 1 1 12 40 1 1 13 41 1 0 13 42 1 0 15 43 1 1 19 44 1 0 20 45 1 0 21 46 1 0 22 47 1 0 24 48 1 0 27 49 1 0 27 50 1 0 28 51 1 0 28 52 1 0 M CHG 2 13 1 31 -1 M END