B3PM2K -OEChem-04042105563D 27 28 0 0 0 0 0 0 0999 V2000 2.8551 2.5853 -0.7056 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 -1.6334 0.2999 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0138 -1.1286 0.2909 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 0.7350 0.4712 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8157 0.4720 -0.0319 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9525 2.5492 0.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2772 -0.5864 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3033 -0.5724 0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3261 -1.4102 -0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5736 -0.8274 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4009 -1.3944 0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4307 0.7579 -0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7077 1.2943 -0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6778 -0.8580 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8313 0.4864 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7366 1.1847 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7423 -1.6539 -0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0146 -2.1160 0.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -2.4578 -0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2965 -2.4435 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5964 1.4262 -0.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8254 0.9040 -0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8981 -2.4784 -0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6587 -1.0551 -0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5784 -2.0636 -1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8837 2.9335 0.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 3.1254 0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 18 1 0 0 0 0 4 8 2 0 0 0 0 4 16 1 0 0 0 0 5 10 1 0 0 0 0 5 16 2 0 0 0 0 6 16 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 15 22 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 M END $$$$