BB3NG0 -OEChem-04042102063D 47 51 0 1 0 0 0 0 0999 V2000 -4.5409 2.0740 -0.8825 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6337 0.2830 0.2415 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0694 3.7918 1.1704 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0965 2.8803 0.7386 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9368 -1.5638 0.1632 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8099 0.2122 0.3076 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6795 -0.3489 -0.7789 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4096 1.1261 -0.7205 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3442 -0.0537 0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0145 -0.8968 -0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4606 2.0717 -0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1520 0.6181 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3095 1.6819 -0.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1593 0.4462 -0.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1259 -1.3660 0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 1.0098 0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0556 -0.8411 -1.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2278 -1.4673 0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8850 -0.2519 0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4981 -1.6147 0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9302 0.7609 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4004 -0.5513 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3099 -1.3560 -1.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4818 -1.9823 1.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8197 -0.8087 0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5229 -1.9265 0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6143 -1.9271 0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2213 0.3063 1.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1744 -0.8719 -1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7694 1.5085 -1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5335 0.8394 1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5402 1.7946 -1.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7867 2.6096 -0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2072 0.5441 -0.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9594 -0.2666 -1.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -2.2041 0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2057 2.0370 0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8998 -0.4035 -2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4324 -1.5489 1.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1794 2.9446 1.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8366 -2.6470 0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6032 1.6142 0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1201 -1.3137 -1.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6466 -2.4319 2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4989 -2.3287 0.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3189 -2.9655 0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4526 3.2949 1.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 19 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 47 1 0 0 0 0 4 11 1 0 0 0 0 4 40 1 0 0 0 0 5 19 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 29 1 0 0 0 0 8 11 1 0 0 0 0 8 30 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 20 1 0 0 0 0 15 36 1 0 0 0 0 16 21 2 0 0 0 0 16 37 1 0 0 0 0 17 23 1 0 0 0 0 17 38 1 0 0 0 0 18 24 2 0 0 0 0 18 39 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 24 44 1 0 0 0 0 25 27 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M END $$$$