RDKit 3D 76 77 0 0 0 0 0 0 0 0999 V2000 8.6400 -2.6664 1.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3026 -2.4217 0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6346 -1.2943 0.2555 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -1.2668 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7629 0.0304 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5068 0.2379 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6887 -0.8506 0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -0.4152 1.0534 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3302 -1.0008 1.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -1.0938 2.1434 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2778 -1.5533 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9255 -2.8933 0.1178 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4222 -3.8043 -0.7832 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -2.8052 0.0731 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9502 -4.0964 -0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9323 -2.8084 1.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9271 -1.6699 -0.7346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7408 -1.7133 -1.9388 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6256 -0.4903 -0.1429 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0051 -0.9408 0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6992 0.6295 -1.1352 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6179 0.2059 -2.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0716 1.9528 -0.5822 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4846 1.9378 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0063 3.0212 -0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6887 2.5793 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6523 3.6281 -0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2854 3.9195 0.6929 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3069 5.6577 1.0830 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7302 3.5522 0.3298 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6576 4.2359 1.0807 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8991 2.0320 0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9922 1.6204 -0.4421 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0600 2.5244 -0.2279 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0231 -2.4587 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2878 -3.5365 -0.4182 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2968 -1.8164 0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0679 -3.5635 0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5112 -2.7189 2.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3630 0.8670 -0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3259 -1.4005 1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 -1.6028 -0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -1.6350 -0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0893 -0.8653 -0.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5725 -3.2238 1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7263 -3.5303 -1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1388 -4.8691 -0.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7619 -4.5643 0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3512 -3.9171 -1.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2176 -3.3707 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9094 -3.3304 1.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0319 -1.8145 1.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0114 -0.1753 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7954 -0.4308 -0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1727 -2.0403 0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2308 -0.8143 1.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7197 0.6534 -1.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4588 0.8274 -2.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9610 2.3262 -1.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7392 1.5186 1.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5710 3.0265 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5030 1.5383 0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8718 3.2686 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3502 3.8997 -0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7373 2.4724 0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3356 1.6245 -0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 3.3439 -1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1531 4.6029 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0679 3.3939 1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8055 3.7345 -0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7418 5.1599 0.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1468 1.8127 1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8986 1.6444 0.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6838 1.7665 -1.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 2.9054 -1.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0967 -2.6883 -1.4224 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 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 6 14 16 1 0 14 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 4 35 2 0 35 36 1 0 36 2 1 0 33 6 1 0 1 37 1 0 1 38 1 0 1 39 1 0 5 40 1 0 7 41 1 0 7 42 1 0 11 43 1 0 11 44 1 0 12 45 1 1 13 46 1 0 15 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 16 52 1 0 19 53 1 1 20 54 1 0 20 55 1 0 20 56 1 0 21 57 1 6 22 58 1 0 23 59 1 6 24 60 1 0 24 61 1 0 24 62 1 0 25 63 1 0 25 64 1 0 26 65 1 0 26 66 1 0 27 67 1 0 27 68 1 0 28 69 1 1 30 70 1 6 31 71 1 0 32 72 1 0 32 73 1 0 33 74 1 6 34 75 1 0 35 76 1 0 M END