RDKit 3D 47 50 0 0 0 0 0 0 0 0999 V2000 -5.1164 1.2646 2.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4615 1.3815 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3335 1.9893 0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1541 1.0938 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8487 -0.0032 -0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5487 -0.3752 0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1053 0.4387 1.0035 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1085 1.3647 1.2122 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6815 -1.5045 -0.4089 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0456 -2.1465 -1.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2257 -2.8388 -2.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3187 -2.4726 -1.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8128 -1.2291 -0.5717 N 0 0 0 0 0 4 0 0 0 0 0 0 1.1558 0.0755 -1.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5966 0.2537 -1.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1457 0.3235 -2.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4867 0.5046 -2.6793 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8567 0.5180 -1.3966 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7174 0.4048 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7646 0.4257 0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9422 0.5686 1.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7353 0.5608 2.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4052 0.4124 3.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4267 0.2796 1.9216 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.9806 0.8914 3.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 2.2383 3.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2876 0.5695 2.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3491 2.0181 1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7348 0.3924 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0363 2.9583 0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7110 2.1893 -0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4868 -0.4616 -1.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -2.2777 0.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3593 -1.3984 -2.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8736 -2.8558 -1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0997 -3.9246 -2.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4818 -2.4847 -3.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2976 -2.3146 -1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4119 -3.2334 -0.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2086 -1.1471 0.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5615 0.1211 -2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8277 0.8945 -0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7110 0.2804 -3.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2052 0.6176 -3.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9124 0.6808 1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5225 0.6661 3.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9649 0.3817 4.3040 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 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 8 4 1 0 13 9 1 0 19 15 1 0 24 20 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 5 32 1 0 9 33 1 1 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 16 43 1 0 17 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 M CHG 1 13 1 M END