RDKit 3D 28 28 0 0 0 0 0 0 0 0999 V2000 4.5621 1.1522 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7091 -0.0583 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1702 -1.2169 -0.0959 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3362 0.1057 -0.0676 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5187 -1.0485 -0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1156 -0.5787 -0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2281 0.7221 -0.0947 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 1.1351 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 2.5692 -0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4981 0.1895 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9363 0.6363 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1561 -1.1095 -0.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8771 -1.5301 -0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6142 -2.9813 -0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5479 0.9119 0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0072 1.9055 0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7043 1.6023 -0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7976 -1.5360 -1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -1.7503 0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0069 3.1416 0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7327 2.7116 0.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1812 2.9292 -1.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1347 1.2582 -1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 1.2100 0.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5409 -0.2736 -0.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3074 -3.3932 -1.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3965 -3.2421 -0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8441 -3.4617 0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 13 6 1 0 1 15 1 0 1 16 1 0 1 17 1 0 5 18 1 0 5 19 1 0 9 20 1 0 9 21 1 0 9 22 1 0 11 23 1 0 11 24 1 0 11 25 1 0 14 26 1 0 14 27 1 0 14 28 1 0 M END