@MOLECULE FDBD01090 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.6482 1.1226 1.2881 S.3 1 UNK -0.0857 2 N -0.4474 -0.1408 -0.5076 N.pl3 1 UNK -0.2979 3 N1 4.3255 -1.1162 0.5089 N.4 1 UNK 0.2311 4 C 1.9156 -0.7047 0.0477 C.3 1 UNK 0.0124 5 C1 0.7684 -0.8218 -0.9714 C.3 1 UNK 0.0247 6 C2 3.2330 -1.3446 -0.4308 C.3 1 UNK -0.0283 7 C3 1.5144 -1.2921 1.4056 C.3 1 UNK -0.0561 8 C4 -1.6018 -0.9369 -0.2978 C.ar 1 UNK 0.0479 9 C5 -0.3933 1.2693 -0.3688 C.ar 1 UNK 0.0479 10 C6 -2.6783 -0.4643 0.4788 C.ar 1 UNK 0.0341 11 C7 -1.3503 1.9604 0.4004 C.ar 1 UNK 0.0341 12 C8 -1.7446 -2.2153 -0.8802 C.ar 1 UNK -0.0393 13 C9 0.5908 2.0474 -1.0171 C.ar 1 UNK -0.0393 14 C10 4.5833 0.3166 0.6601 C.3 1 UNK -0.0433 15 C11 5.5377 -1.8070 0.0665 C.3 1 UNK -0.0433 16 C12 -3.8241 -1.2551 0.6778 C.ar 1 UNK -0.0462 17 C13 -1.2967 3.3598 0.5285 C.ar 1 UNK -0.0462 18 C14 -2.8876 -2.9950 -0.6833 C.ar 1 UNK -0.0599 19 C15 0.6367 3.4384 -0.8904 C.ar 1 UNK -0.0599 20 C16 -3.9270 -2.5157 0.0992 C.ar 1 UNK -0.0606 21 C17 -0.3061 4.0951 -0.1141 C.ar 1 UNK -0.0606 22 H 4.0506 -1.4932 1.4159 H 1 UNK 0.2028 23 H1 2.0981 0.3444 0.1520 H 1 UNK 0.0365 24 H2 1.0803 -0.3818 -1.8955 H 1 UNK 0.0472 25 H3 0.5402 -1.8597 -1.0962 H 1 UNK 0.0472 26 H4 3.0854 -2.3988 -0.5391 H 1 UNK 0.0817 27 H5 3.4998 -0.8929 -1.3633 H 1 UNK 0.0817 28 H6 1.3321 -2.3412 1.3005 H 1 UNK 0.0235 29 H7 0.6259 -0.8089 1.7548 H 1 UNK 0.0235 30 H8 2.3052 -1.1362 2.1093 H 1 UNK 0.0235 31 H9 -0.9819 -2.5850 -1.4690 H 1 UNK 0.0636 32 H10 1.2974 1.5746 -1.6021 H 1 UNK 0.0636 33 H11 4.8734 0.7284 -0.2839 H 1 UNK 0.0777 34 H12 5.3697 0.4645 1.3705 H 1 UNK 0.0777 35 H13 3.6953 0.8044 1.0043 H 1 UNK 0.0777 36 H14 5.8401 -1.4226 -0.8852 H 1 UNK 0.0777 37 H15 5.3400 -2.8551 -0.0186 H 1 UNK 0.0777 38 H16 6.3192 -1.6482 0.7799 H 1 UNK 0.0777 39 H17 -4.5971 -0.8961 1.2596 H 1 UNK 0.0629 40 H18 -2.0001 3.8467 1.1057 H 1 UNK 0.0629 41 H19 -2.9580 -3.9273 -1.1202 H 1 UNK 0.0618 42 H20 1.3721 3.9767 -1.3745 H 1 UNK 0.0618 43 H21 -4.7708 -3.0901 0.2512 H 1 UNK 0.0618 44 H22 -0.2731 5.1217 -0.0138 H 1 UNK 0.0618 @BOND 1 1 10 1 2 1 11 1 3 2 5 1 4 2 8 1 5 2 9 1 6 3 6 1 7 3 14 1 8 3 15 1 9 4 5 1 10 4 6 1 11 4 7 1 12 8 10 ar 13 8 12 ar 14 9 11 ar 15 9 13 ar 16 10 16 ar 17 11 17 ar 18 12 18 ar 19 13 19 ar 20 16 20 ar 21 17 21 ar 22 18 20 ar 23 19 21 ar 24 3 22 1 25 4 23 1 26 5 24 1 27 5 25 1 28 6 26 1 29 6 27 1 30 7 28 1 31 7 29 1 32 7 30 1 33 12 31 1 34 13 32 1 35 14 33 1 36 14 34 1 37 14 35 1 38 15 36 1 39 15 37 1 40 15 38 1 41 16 39 1 42 17 40 1 43 18 41 1 44 19 42 1 45 20 43 1 46 21 44 1