@MOLECULE FDBD00808 55 57 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.5592 -3.0941 -0.8201 N.4 1 UNK 0.2296 2 N1 -3.9948 2.1694 -0.0009 N.4 1 UNK 0.2309 3 N2 3.1848 0.8772 0.3999 N.4 1 UNK 0.3670 4 N3 4.2311 0.5185 -0.3363 N.3 1 UNK -0.2353 5 N4 3.5195 2.6422 -0.8014 N.4 1 UNK 0.2744 6 C -2.1882 -1.1721 0.0949 C.3 1 UNK 0.0119 7 C1 -0.7774 -1.2919 0.2370 C.3 1 UNK 0.0103 8 C2 -3.0268 -0.0491 0.5611 C.3 1 UNK -0.0044 9 C3 -0.4084 -2.5064 -0.3453 C.3 1 UNK -0.0193 10 C4 -3.1870 1.0595 -0.4952 C.3 1 UNK -0.0320 11 C5 0.2242 -0.4810 0.8069 C.3 1 UNK -0.0370 12 C6 -2.6401 -2.2954 -0.5586 C.3 1 UNK -0.0299 13 C7 1.5547 -0.9144 0.7733 C.3 1 UNK 0.0005 14 C8 0.9174 -2.9524 -0.3863 C.3 1 UNK -0.0090 15 C9 1.8936 -2.1314 0.1853 C.3 1 UNK -0.0403 16 C10 2.6212 -0.0607 1.3756 C.3 1 UNK -0.0062 17 C11 -4.0906 3.2254 -1.0099 C.3 1 UNK -0.0433 18 C12 -3.4323 2.7024 1.2408 C.3 1 UNK -0.0433 19 C13 2.7582 2.1246 0.1346 C.3 1 UNK 0.0045 20 C14 4.4001 1.6301 -1.0557 C.3 1 UNK 0.0578 21 H -1.6893 -3.9972 -0.3641 H 1 UNK 0.2016 22 H1 -1.4760 -3.2222 -1.8286 H 1 UNK 0.2016 23 H2 -4.9333 1.8199 0.1925 H 1 UNK 0.2028 24 H3 2.4714 0.7285 1.1136 H 1 UNK 0.2282 25 H4 4.0206 -0.2862 -0.9267 H 1 UNK 0.1791 26 H5 4.0022 3.4757 -0.4656 H 1 UNK 0.2085 27 H6 3.0016 2.9485 -1.6250 H 1 UNK 0.2085 28 H7 -2.7553 -0.3367 0.4490 H 1 UNK 0.0359 29 H8 -0.7039 -0.3507 0.7407 H 1 UNK 0.0360 30 H9 -2.5756 0.3741 1.4341 H 1 UNK 0.0321 31 H10 -4.0015 -0.4403 0.7656 H 1 UNK 0.0321 32 H11 0.4033 -3.1655 -0.5726 H 1 UNK 0.0853 33 H12 -2.2179 1.4279 -0.7597 H 1 UNK 0.0814 34 H13 -3.6848 0.6393 -1.3440 H 1 UNK 0.0814 35 H14 -0.0336 -0.3426 1.8361 H 1 UNK 0.0274 36 H15 0.2256 0.3932 0.1899 H 1 UNK 0.0274 37 H16 -3.3382 -2.8196 0.0600 H 1 UNK 0.0817 38 H17 -3.1318 -2.0240 -1.4694 H 1 UNK 0.0817 39 H18 0.9301 -1.6343 0.2870 H 1 UNK 0.0353 40 H19 1.1772 -3.0903 -1.4151 H 1 UNK 0.0320 41 H20 0.9244 -3.8400 0.2113 H 1 UNK 0.0320 42 H21 2.3732 -2.7129 0.9448 H 1 UNK 0.0272 43 H22 2.4723 -1.8295 -0.6625 H 1 UNK 0.0272 44 H23 2.2020 0.4953 2.1880 H 1 UNK 0.0823 45 H24 3.4086 -0.7017 1.7134 H 1 UNK 0.0823 46 H25 -3.1129 3.6034 -1.2245 H 1 UNK 0.0777 47 H26 -4.7061 4.0182 -0.6391 H 1 UNK 0.0777 48 H27 -4.5229 2.8265 -1.9037 H 1 UNK 0.0777 49 H28 -2.4462 3.0738 1.0551 H 1 UNK 0.0777 50 H29 -3.3883 1.9252 1.9749 H 1 UNK 0.0777 51 H30 -4.0512 3.4979 1.6001 H 1 UNK 0.0777 52 H31 2.8207 2.7220 1.0201 H 1 UNK 0.1438 53 H32 1.7413 2.0981 -0.1973 H 1 UNK 0.1438 54 H33 4.3104 1.3689 -2.0895 H 1 UNK 0.1040 55 H34 5.3636 2.0082 -0.7843 H 1 UNK 0.1040 @BOND 1 1 9 1 2 1 12 1 3 2 10 1 4 2 17 1 5 2 18 1 6 3 4 1 7 3 16 1 8 3 19 1 9 4 20 1 10 5 19 1 11 5 20 1 12 6 7 1 13 6 8 1 14 6 12 1 15 7 9 1 16 7 11 1 17 8 10 1 18 9 14 1 19 11 13 1 20 13 15 1 21 13 16 1 22 14 15 1 23 1 21 1 24 1 22 1 25 2 23 1 26 3 24 1 27 4 25 1 28 5 26 1 29 5 27 1 30 6 28 1 31 7 29 1 32 8 30 1 33 8 31 1 34 9 32 1 35 10 33 1 36 10 34 1 37 11 35 1 38 11 36 1 39 12 37 1 40 12 38 1 41 13 39 1 42 14 40 1 43 14 41 1 44 15 42 1 45 15 43 1 46 16 44 1 47 16 45 1 48 17 46 1 49 17 47 1 50 17 48 1 51 18 49 1 52 18 50 1 53 18 51 1 54 19 52 1 55 19 53 1 56 20 54 1 57 20 55 1