C_a.01.xyz OpenBabel04211014443D 38 41 0 0 0 0 0 0 0 0999 V2000 -1.3849 -2.7283 -0.0048 C 0 0 0 0 0 -0.7160 -3.9390 -0.0045 C 0 0 0 0 0 0.6846 -3.9548 -0.0006 C 0 0 0 0 0 1.3905 -2.7571 0.0016 C 0 0 0 0 0 -0.6557 1.0391 0.0004 C 0 0 0 0 0 -1.4260 2.2511 0.0012 C 0 0 0 0 0 -2.8002 2.2492 0.0020 C 0 0 0 0 0 -3.4873 1.0206 0.0022 C 0 0 0 0 0 -2.7879 -0.1730 0.0014 C 0 0 0 0 0 0.7313 -1.5188 0.0005 C 0 0 0 0 0 1.5563 -0.2437 0.0023 C 0 0 0 0 0 0.7644 1.0538 0.0004 C 0 3 0 0 0 -1.3783 -0.2195 -0.0002 C 0 0 0 0 0 -0.6814 -1.4972 -0.0017 C 0 0 0 0 0 2.4456 -0.2581 1.2936 C 0 0 0 0 0 2.4537 -0.2588 -1.2831 C 0 0 0 0 0 1.6154 2.2363 -0.0015 C 0 0 0 0 0 1.3476 3.5758 0.7334 C 0 0 0 0 0 1.3460 3.5716 -0.7435 C 0 0 0 0 0 -2.4743 -2.7434 -0.0078 H 0 0 0 0 0 -1.2790 -4.8747 -0.0069 H 0 0 0 0 0 1.2248 -4.9045 0.0001 H 0 0 0 0 0 2.4817 -2.7979 0.0042 H 0 0 0 0 0 -0.9273 3.2141 0.0017 H 0 0 0 0 0 -3.3522 3.1912 0.0028 H 0 0 0 0 0 -4.5803 1.0058 0.0034 H 0 0 0 0 0 -3.3587 -1.1001 0.0023 H 0 0 0 0 0 3.0553 -1.1714 1.3013 H 0 0 0 0 0 3.1257 0.6029 1.3360 H 0 0 0 0 0 1.8144 -0.2574 2.1947 H 0 0 0 0 0 3.1455 0.5935 -1.3147 H 0 0 0 0 0 1.8289 -0.2437 -2.1884 H 0 0 0 0 0 3.0525 -1.1793 -1.2939 H 0 0 0 0 0 2.6755 1.9931 -0.0014 H 0 0 0 0 0 2.2238 3.9719 1.2512 H 0 0 0 0 0 0.4149 3.6531 1.2926 H 0 0 0 0 0 2.2208 3.9652 -1.2658 H 0 0 0 0 0 0.4119 3.6448 -1.3009 H 0 0 0 0 0 20 1 1 0 0 0 1 2 2 0 0 0 1 14 1 0 0 0 21 2 1 0 0 0 2 3 1 0 0 0 3 22 1 0 0 0 3 4 2 0 0 0 10 4 1 0 0 0 4 23 1 0 0 0 13 5 2 0 0 0 12 5 1 0 0 0 5 6 1 0 0 0 6 24 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 7 25 1 0 0 0 9 8 2 0 0 0 8 26 1 0 0 0 13 9 1 0 0 0 9 27 1 0 0 0 14 10 2 0 0 0 10 11 1 0 0 0 16 11 1 0 0 0 12 11 1 0 0 0 11 15 1 0 0 0 17 12 1 0 0 0 14 13 1 0 0 0 15 28 1 0 0 0 15 29 1 0 0 0 15 30 1 0 0 0 32 16 1 0 0 0 31 16 1 0 0 0 33 16 1 0 0 0 19 17 1 0 0 0 17 34 1 0 0 0 17 18 1 0 0 0 19 18 1 0 0 0 18 35 1 0 0 0 18 36 1 0 0 0 38 19 1 0 0 0 37 19 1 0 0 0 M CHG 1 12 1 M END