RDKit 3D 48 52 0 0 0 0 0 0 0 0999 V2000 7.5195 -0.7498 1.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1394 -0.5352 1.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7638 -1.1310 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 -0.9648 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5284 -0.1977 0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9104 0.3770 1.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2051 0.2188 1.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5719 1.2355 2.0817 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6115 0.7890 0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2249 0.0501 -0.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2906 1.1778 0.6173 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5377 0.7899 -0.4931 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7576 1.6143 -0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7474 2.3566 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3878 2.0441 1.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0031 2.5001 2.5407 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5331 3.1904 1.3623 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.7826 1.5921 -1.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4288 1.4672 -2.5261 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2364 1.6330 -1.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1059 2.0472 -2.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4665 2.0211 -1.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0118 1.6086 -0.6427 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1445 1.2214 0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7693 1.1959 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8499 -0.7063 -0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2015 -1.4177 0.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5044 -2.7798 0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4704 -3.4469 -0.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -2.7469 -1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8325 -1.3896 -1.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1363 -3.4278 -2.9833 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8390 0.1091 2.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2485 -0.8696 0.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5362 -1.6459 2.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4752 -1.7336 -0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1808 -1.4244 -1.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4677 0.6762 2.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0223 1.0978 -1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7272 2.3839 -3.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1766 2.3406 -2.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5973 0.9181 1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1402 0.8656 0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2439 -0.9093 1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7709 -3.3156 1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7088 -4.5041 -0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5869 -0.8435 -2.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9674 -2.7817 -3.6894 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 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 14 17 1 0 13 18 1 0 18 19 2 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 12 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 30 32 1 0 7 2 1 0 10 5 1 0 15 11 1 0 25 20 1 0 31 26 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 4 37 1 0 7 38 1 0 12 39 1 6 21 40 1 0 22 41 1 0 24 42 1 0 25 43 1 0 27 44 1 0 28 45 1 0 29 46 1 0 31 47 1 0 32 48 1 0 M CHG 1 17 -1 M END