B6KGB2 -OEChem-04042106083D 70 74 0 1 0 0 0 0 0999 V2000 -6.5897 -1.8389 -0.0854 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.3760 2.1345 2.2121 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1519 -1.3015 1.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5367 2.0719 1.1681 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7240 1.5760 -1.2263 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2859 -0.6362 -0.7007 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2508 -0.6920 0.5619 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0719 0.7001 -1.3969 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9472 1.0871 -0.9268 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5934 -0.4085 -0.6094 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3048 -0.6903 0.1074 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2910 -0.2225 -1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5272 -1.5145 -1.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1479 -2.0670 0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4078 -2.0051 0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4052 -1.1080 -2.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5165 -1.0188 0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5168 -0.1286 -1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6678 -2.1801 0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5978 -0.1881 -0.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -0.8199 1.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5116 -0.2396 0.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3383 1.1098 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 0.4361 1.8887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3818 -1.5860 0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1136 0.6700 -0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6773 -1.0957 0.5563 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0597 0.9263 1.7255 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0163 0.1605 1.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1621 0.5975 -0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5759 1.4455 -2.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9143 1.2894 -1.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4018 0.6845 0.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5032 1.1436 0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6432 1.1591 -0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8536 2.5491 1.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1203 0.4919 -0.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0188 0.0292 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0386 0.7913 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -0.9312 -2.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9331 -2.3687 -1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2008 -2.8126 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -2.3280 1.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8022 -2.2165 1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8732 -2.9543 -0.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8689 -2.0131 -2.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7937 -0.6719 -3.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1382 -1.5110 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0949 -0.1204 0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1012 0.8568 -1.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 -0.0077 -2.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0797 -1.9319 -0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9412 -3.2092 0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0229 1.0373 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1670 -2.5787 0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0357 -0.6467 1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7153 1.8267 -1.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3593 1.0047 0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2231 -0.4942 -0.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3835 0.7156 -2.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3460 2.4569 -2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3777 2.2407 -1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6569 0.6711 -1.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6026 1.5242 1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1081 -0.1073 1.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1548 0.2892 0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8875 1.6249 -0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8226 3.2522 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2335 3.0738 0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5209 1.7228 1.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 28 1 0 0 0 0 3 19 1 0 0 0 0 3 21 1 0 0 0 0 4 34 1 0 0 0 0 4 36 1 0 0 0 0 5 35 2 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 7 20 2 0 0 0 0 7 22 1 0 0 0 0 8 20 1 0 0 0 0 8 23 2 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 41 1 0 0 0 0 14 19 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 18 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 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 56 1 0 0 0 0 23 26 1 0 0 0 0 23 57 1 0 0 0 0 24 28 1 0 0 0 0 24 54 1 0 0 0 0 25 27 2 0 0 0 0 25 55 1 0 0 0 0 26 34 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 29 33 1 0 0 0 0 30 32 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 35 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 M END $$$$