RDKit 3D 51 55 0 0 0 0 0 0 0 0999 V2000 -4.6334 -1.2852 -0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7966 0.0837 -0.4014 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2628 0.3993 -1.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1425 1.0543 -2.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7302 1.4724 -3.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 1.2572 -4.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5194 0.6218 -3.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9249 0.1816 -2.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9363 -0.5105 -1.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7878 -1.8248 -1.1293 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7816 -2.1115 -0.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3174 -0.9642 0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0161 0.0786 -0.3404 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8226 1.4983 -0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 1.9772 0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9129 2.6744 0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2827 2.7942 2.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2877 2.1924 3.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 1.6864 2.2435 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0221 -0.8127 1.2825 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3242 -1.3111 0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 -0.8510 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6138 -1.6345 1.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6594 -2.9513 1.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8043 -3.3758 2.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8850 -2.5158 2.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8599 -1.2028 2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7107 -0.8100 1.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4991 0.4116 0.9856 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2546 0.3991 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6146 1.6364 -0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 1.4580 -0.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2882 2.6997 -0.4555 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.6122 -1.9650 -0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7481 -1.3985 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4975 -1.5655 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1634 1.2509 -2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4364 1.9673 -4.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0831 1.5841 -5.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4836 0.4598 -3.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2195 1.6864 0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0163 2.0204 -1.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4642 3.0123 0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1677 3.2596 2.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1128 2.0177 4.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1155 -0.9630 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -2.3978 0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8236 -3.6258 1.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8440 -4.3828 2.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7604 -2.8602 3.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6856 -0.5155 2.3704 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 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 12 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 8 3 1 0 13 9 1 0 19 15 1 0 30 22 2 0 28 23 1 0 1 34 1 0 1 35 1 0 1 36 1 0 4 37 1 0 5 38 1 0 6 39 1 0 7 40 1 0 14 41 1 0 14 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 21 46 1 0 21 47 1 0 24 48 1 0 25 49 1 0 26 50 1 0 27 51 1 0 M CHG 1 33 -1 M END