D03UVR -OEChem-10191521212D 54 57 0 1 0 0 0 0 0999 V2000 8.5991 -3.5194 0.0000 F -1 0 0 0 0 0 0 0 0 0 0 0 10.4442 1.9503 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8022 3.2104 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1841 1.3083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.9806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9241 2.5684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 3.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2331 3.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -0.5194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5421 2.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4932 2.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -0.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -2.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -2.9944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -2.9944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -1.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -2.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -1.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -1.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.6706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -0.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 -2.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -1.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 3 32 1 0 0 0 0 4 32 1 0 0 0 0 5 24 1 0 0 0 0 5 31 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 6 41 1 0 0 0 0 12 7 1 1 0 0 0 7 18 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 30 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 10 30 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 13 17 1 1 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 22 1 0 0 0 0 19 45 1 0 0 0 0 20 23 2 0 0 0 0 20 46 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 22 47 1 0 0 0 0 23 26 1 0 0 0 0 23 48 1 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 30 32 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M ISO 1 1 18 M END $$$$