B32NIJ -OEChem-04022100552D 113116 0 1 0 0 0 0 0999 V2000 12.0632 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1652 0.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8104 0.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1162 0.3966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7004 2.3529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3017 -2.5895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7799 -1.9314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0062 1.9928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6972 2.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6972 2.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3882 1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9573 1.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6515 2.0439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3946 2.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8594 1.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1107 -1.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3457 2.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2799 -2.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5536 1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0888 3.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5046 1.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0399 2.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2478 1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1032 1.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3036 3.0728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6324 3.5604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7620 3.5604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0907 3.0728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8218 2.2450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0782 1.4558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 -0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 -1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5715 2.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5226 2.6503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 1.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 2.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 2.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 1.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6857 3.2604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9060 3.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8410 -3.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2396 -0.5818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 0.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5320 -3.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0928 1.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9599 3.6796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9393 0.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 2.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 3.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6335 0.5104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5006 3.1790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8374 1.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 23 2 0 0 0 0 3 27 2 0 0 0 0 4 35 2 0 0 0 0 5 37 1 0 0 0 0 5 97 1 0 0 0 0 6 37 2 0 0 0 0 7 43 2 0 0 0 0 8 57 1 0 0 0 0 8113 1 0 0 0 0 9 17 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 22 10 1 6 0 0 0 10 27 1 0 0 0 0 10 69 1 0 0 0 0 11 23 1 0 0 0 0 28 11 1 1 0 0 0 11 71 1 0 0 0 0 25 12 1 1 0 0 0 12 35 1 0 0 0 0 12 75 1 0 0 0 0 13 30 1 0 0 0 0 13 42 1 0 0 0 0 13 87 1 0 0 0 0 33 14 1 1 0 0 0 14 43 1 0 0 0 0 14 91 1 0 0 0 0 15 38 1 0 0 0 0 15 42 2 0 0 0 0 41 16 1 1 0 0 0 16106 1 0 0 0 0 16107 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 1 0 0 0 17 58 1 0 0 0 0 18 19 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 20 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 22 65 1 0 0 0 0 24 30 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 68 1 0 0 0 0 26 29 1 0 0 0 0 26 31 1 1 0 0 0 26 70 1 0 0 0 0 28 32 1 0 0 0 0 28 37 1 0 0 0 0 28 72 1 0 0 0 0 29 36 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 38 2 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 32 40 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 33 34 1 0 0 0 0 33 39 1 0 0 0 0 33 81 1 0 0 0 0 34 35 1 0 0 0 0 34 82 1 0 0 0 0 34 83 1 0 0 0 0 36 84 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 38 88 1 0 0 0 0 39 45 1 0 0 0 0 39 89 1 0 0 0 0 39 90 1 0 0 0 0 40 46 2 0 0 0 0 40 47 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 41 92 1 0 0 0 0 42 93 1 0 0 0 0 44 48 1 0 0 0 0 44 49 1 0 0 0 0 44 94 1 0 0 0 0 45 50 2 0 0 0 0 45 51 1 0 0 0 0 46 52 1 0 0 0 0 46 95 1 0 0 0 0 47 53 2 0 0 0 0 47 96 1 0 0 0 0 48 98 1 0 0 0 0 48 99 1 0 0 0 0 48100 1 0 0 0 0 49101 1 0 0 0 0 49102 1 0 0 0 0 49103 1 0 0 0 0 50 55 1 0 0 0 0 50104 1 0 0 0 0 51 56 2 0 0 0 0 51105 1 0 0 0 0 52 54 2 0 0 0 0 52108 1 0 0 0 0 53 54 1 0 0 0 0 53109 1 0 0 0 0 54110 1 0 0 0 0 55 57 2 0 0 0 0 55111 1 0 0 0 0 56 57 1 0 0 0 0 56112 1 0 0 0 0 M END $$$$