RDKit 3D 53 55 0 0 0 0 0 0 0 0999 V2000 4.9837 -1.3399 -0.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2328 -0.9281 0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0035 -2.1539 1.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4101 0.3413 0.9274 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6466 1.5074 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9286 0.7627 2.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 1.0530 3.2987 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9737 0.0100 0.9811 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9982 0.9034 1.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2424 2.0278 1.8189 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5825 0.3872 1.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 0.9269 -0.4202 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6309 0.2043 -0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6434 -1.0373 0.0143 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8516 -1.7355 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8664 -3.0788 0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 -3.8416 0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2254 -3.2198 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2227 -1.8780 -0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0313 -1.1464 -0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9905 0.2766 -0.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0448 0.8068 -1.2099 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 0.9294 -0.7455 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7233 2.3390 -1.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3207 2.8417 -2.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3064 4.2106 -2.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7036 5.0862 -1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 4.6203 -0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 3.2513 -0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 6.3974 -1.8605 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0409 -5.3010 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9226 -5.7979 1.0596 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1543 -5.9130 0.6835 O 0 0 0 0 0 1 0 0 0 0 0 0 5.5569 -2.2450 -1.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3066 -0.5580 -1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9264 -1.5530 -1.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3023 -0.6810 0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 -1.9379 2.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9684 -2.5055 1.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 -2.9855 1.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 2.4568 0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7164 1.6666 -0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1607 1.3235 -1.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6562 -0.8115 0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5818 -0.7044 1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0437 0.7913 2.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9464 -3.5555 0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1475 -3.7994 -0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1459 -1.4156 -0.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7962 2.1697 -2.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7661 4.5918 -3.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6704 5.3216 0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7238 2.9191 0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 1 6 7 3 0 4 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 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 27 30 1 0 17 31 1 0 31 32 2 0 31 33 1 0 23 13 1 0 20 15 1 0 29 24 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 3 40 1 0 5 41 1 0 5 42 1 0 5 43 1 0 8 44 1 0 11 45 1 0 11 46 1 0 16 47 1 0 18 48 1 0 19 49 1 0 25 50 1 0 26 51 1 0 28 52 1 0 29 53 1 0 M CHG 1 33 -1 M END