@MOLECULE FDBD00941 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 N -0.4864 0.9275 -0.6259 N.4 1 UNK 0.2396 2 C 5.6086 -0.6959 0.6535 C.3 1 UNK -0.0127 3 C1 4.3181 -0.2201 0.0777 C.ar 1 UNK -0.0420 4 C2 6.0535 -2.0447 0.0076 C.3 1 UNK -0.0560 5 C3 5.4909 -0.9276 2.1921 C.3 1 UNK -0.0560 6 C4 6.8236 0.2734 0.4709 C.3 1 UNK -0.0560 7 C5 0.6129 1.1454 -1.5754 C.3 1 UNK -0.0059 8 C6 1.9141 0.6659 -0.9943 C.ar 1 UNK -0.0029 9 C7 3.1728 -1.0088 0.1871 C.ar 1 UNK -0.0576 10 C8 4.2560 1.0135 -0.5702 C.ar 1 UNK -0.0576 11 C9 -1.7545 1.3133 -1.2005 C.3 1 UNK -0.0053 12 C10 1.9653 -0.5638 -0.3513 C.ar 1 UNK -0.0533 13 C11 3.0487 1.4586 -1.1086 C.ar 1 UNK -0.0533 14 C12 -2.8758 1.0315 -0.2487 C.ar 1 UNK 0.0048 15 C13 -3.5543 -0.1982 -0.2405 C.ar 1 UNK -0.0097 16 C14 -0.2225 1.6650 0.6166 C.3 1 UNK -0.0425 17 C15 -4.6058 -0.4022 0.6845 C.ar 1 UNK -0.0174 18 C16 -3.2292 2.0456 0.6421 C.ar 1 UNK -0.0529 19 C17 -3.2122 -1.2299 -1.1299 C.ar 1 UNK -0.0536 20 C18 -4.9478 0.6293 1.5741 C.ar 1 UNK -0.0540 21 C19 -4.2630 1.8448 1.5520 C.ar 1 UNK -0.0607 22 C20 -5.2843 -1.6318 0.6929 C.ar 1 UNK -0.0540 23 C21 -3.8972 -2.4451 -1.1077 C.ar 1 UNK -0.0612 24 C22 -4.9314 -2.6456 -0.1981 C.ar 1 UNK -0.0612 25 H -0.5410 -0.0681 -0.4108 H 1 UNK 0.2037 26 H1 5.2635 -2.7608 0.0972 H 1 UNK 0.0238 27 H2 6.9248 -2.4103 0.5096 H 1 UNK 0.0238 28 H3 6.2773 -1.8881 -1.0269 H 1 UNK 0.0238 29 H4 4.6726 -1.5874 2.3919 H 1 UNK 0.0238 30 H5 5.3220 0.0086 2.6819 H 1 UNK 0.0238 31 H6 6.3974 -1.3629 2.5576 H 1 UNK 0.0238 32 H7 6.9637 0.4776 -0.5701 H 1 UNK 0.0238 33 H8 7.7067 -0.1831 0.8668 H 1 UNK 0.0238 34 H9 6.6312 1.1884 0.9911 H 1 UNK 0.0238 35 H10 0.6883 2.1903 -1.7929 H 1 UNK 0.0867 36 H11 0.4106 0.5957 -2.4708 H 1 UNK 0.0867 37 H12 3.2188 -1.9216 0.6664 H 1 UNK 0.0621 38 H13 5.1034 1.5970 -0.6512 H 1 UNK 0.0621 39 H14 -1.9133 0.7613 -2.1033 H 1 UNK 0.0867 40 H15 -1.7336 2.3633 -1.4055 H 1 UNK 0.0867 41 H16 1.1159 -1.1445 -0.2723 H 1 UNK 0.0622 42 H17 2.9989 2.3708 -1.5886 H 1 UNK 0.0622 43 H18 -0.1629 2.7120 0.4041 H 1 UNK 0.0778 44 H19 0.7033 1.3334 1.0384 H 1 UNK 0.0778 45 H20 -1.0156 1.4869 1.3124 H 1 UNK 0.0778 46 H21 -2.7237 2.9452 0.6263 H 1 UNK 0.0622 47 H22 -2.4463 -1.0877 -1.8068 H 1 UNK 0.0624 48 H23 -5.7135 0.4868 2.2511 H 1 UNK 0.0624 49 H24 -4.5232 2.5954 2.2107 H 1 UNK 0.0618 50 H25 -6.0518 -1.7870 1.3651 H 1 UNK 0.0624 51 H26 -3.6369 -3.1959 -1.7662 H 1 UNK 0.0618 52 H27 -5.4375 -3.5448 -0.1828 H 1 UNK 0.0618 @BOND 1 1 7 1 2 1 11 1 3 1 16 1 4 2 3 1 5 2 4 1 6 2 5 1 7 2 6 1 8 3 9 ar 9 3 10 ar 10 7 8 1 11 8 12 ar 12 8 13 ar 13 9 12 ar 14 10 13 ar 15 11 14 1 16 14 15 ar 17 14 18 ar 18 15 17 ar 19 15 19 ar 20 17 20 ar 21 17 22 ar 22 18 21 ar 23 19 23 ar 24 20 21 ar 25 22 24 ar 26 23 24 ar 27 1 25 1 28 4 26 1 29 4 27 1 30 4 28 1 31 5 29 1 32 5 30 1 33 5 31 1 34 6 32 1 35 6 33 1 36 6 34 1 37 7 35 1 38 7 36 1 39 9 37 1 40 10 38 1 41 11 39 1 42 11 40 1 43 12 41 1 44 13 42 1 45 16 43 1 46 16 44 1 47 16 45 1 48 18 46 1 49 19 47 1 50 20 48 1 51 21 49 1 52 22 50 1 53 23 51 1 54 24 52 1