RDKit 3D 47 49 0 0 0 0 0 0 0 0999 V2000 8.6720 1.9905 -0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3693 1.2829 -0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1696 -0.0694 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4923 -0.4137 -0.0924 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1598 1.2344 -0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2052 2.0210 -0.4551 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8923 1.7437 -0.4576 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7033 1.0552 -0.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5635 -0.1444 -0.1299 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4897 1.9619 -0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8981 2.4666 1.1370 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1896 0.9062 1.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6599 0.1734 2.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0235 -1.0331 3.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0456 -1.4639 2.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4664 -0.6762 1.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8624 0.5038 0.8832 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5865 -1.0508 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8473 -2.3890 -0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9244 -2.7257 -0.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7628 -1.7284 -1.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4918 -0.3869 -1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4297 -0.0615 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2321 0.6712 -1.5634 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4346 0.6513 -2.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8187 -2.1204 -2.1638 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0121 -2.1598 -1.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7614 0.6070 3.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6453 0.9399 4.2027 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7822 2.4859 -1.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5108 1.2991 -0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7322 2.7502 0.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9048 -0.8484 0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8903 2.7471 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7171 1.4413 -1.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7561 2.8611 -1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3557 -1.6430 3.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 -2.3976 2.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2052 -3.1914 0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1131 -3.7660 -1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 0.9871 -0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5214 1.6892 -3.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5986 0.1951 -3.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3745 0.1470 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8333 -2.4603 -2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9299 -2.9054 -0.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2575 -1.1766 -0.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 21 26 1 0 26 27 1 0 13 28 1 0 28 29 3 0 6 2 1 0 17 12 1 0 23 18 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 7 34 1 0 10 35 1 0 10 36 1 0 14 37 1 0 15 38 1 0 19 39 1 0 20 40 1 0 23 41 1 0 25 42 1 0 25 43 1 0 25 44 1 0 27 45 1 0 27 46 1 0 27 47 1 0 M END