IFLAB-ZINC04315968 MOE2007 3D Structure written by MMmdl. 30 31 0 0 0 0 0 0 0 0999 V2000 -4.6520 0.3350 -1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 1.7000 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 2.1910 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 1.3190 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 -0.0540 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 -0.5420 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 1.8120 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 2.8950 1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 1.9830 1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 1.2670 0.8190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 0.4520 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 1.6890 1.7720 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 2.6290 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 2.5080 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5260 -0.0450 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3010 2.3840 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 3.2650 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 -0.7710 0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 -1.6080 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 3.6240 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 2.2380 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 3.6780 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 2.9280 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0630 1.4730 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 3.1900 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9070 2.9260 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 2.9730 2.1380 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5790 3.6510 2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2710 3.2720 -0.8720 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0610 4.2790 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 15 1 0 0 0 0 2 3 2 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 20 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 27 2 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 29 1 0 0 0 0 25 29 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 1 M END