RDKit 3D 47 50 0 0 0 0 0 0 0 0999 V2000 -3.8758 3.5245 0.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 2.3678 0.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1318 1.1042 0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 0.9410 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3225 -0.3309 -0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9105 -0.5445 -0.5241 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0310 0.2067 0.2165 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0335 -0.5603 0.5998 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3228 0.1192 0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2049 -0.0121 1.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4383 0.6454 1.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7984 1.4359 0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9145 1.5716 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6857 0.9064 -0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5367 2.4042 -1.4476 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7078 2.9695 -0.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9421 2.1822 0.2384 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0234 -1.8252 -0.2561 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6432 -2.9916 0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -1.9874 -0.4119 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8332 -2.8057 -1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -1.4267 -0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4953 -1.2859 0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9575 0.0117 0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2977 0.1356 0.8625 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6015 3.7591 -0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9265 3.3641 1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4564 4.3593 0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1545 1.8022 -0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7643 -0.2628 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8234 -0.9186 1.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9973 -0.6178 2.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 0.5226 2.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0173 1.0366 -1.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5913 2.8651 -1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5889 4.0431 -0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -1.6416 -1.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5439 -2.8965 1.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6923 -3.0812 0.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0933 -3.9078 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8901 -2.4693 0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1743 -3.8194 -1.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6195 -2.3258 -2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -3.0089 -2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8038 -2.4546 -0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1418 -2.1446 0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7030 1.0413 1.0186 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 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 17 1 0 17 16 1 0 16 15 1 0 15 13 1 0 13 14 2 0 24 3 1 0 20 6 1 0 14 9 1 0 13 12 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 22 45 1 0 23 46 1 0 25 47 1 0 6 30 1 6 8 31 1 1 18 37 1 6 19 38 1 0 19 39 1 0 19 40 1 0 20 41 1 1 21 42 1 0 21 43 1 0 21 44 1 0 10 32 1 0 11 33 1 0 16 35 1 0 16 36 1 0 14 34 1 0 M END