@MOLECULE FDBD00184 50 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0084 0.0139 1.4094 O.2 1 UNK -0.2693 2 N -2.3135 0.5416 0.1259 N.4 1 UNK 0.2439 3 N1 1.2097 0.4589 -0.5539 N.am 1 UNK -0.2804 4 C -1.0687 1.1382 -0.3928 C.3 1 UNK 0.0570 5 C1 -0.9730 2.6364 -0.0733 C.3 1 UNK -0.0008 6 C2 -3.4961 1.2544 -0.3898 C.3 1 UNK -0.0312 7 C3 -2.1942 3.3965 -0.5710 C.3 1 UNK -0.0427 8 C4 -3.4640 2.7426 -0.0454 C.3 1 UNK -0.0123 9 C5 -2.4267 -0.8810 -0.2200 C.3 1 UNK -0.0312 10 C6 0.0944 0.4673 0.2742 C.2 1 UNK 0.2655 11 C7 -3.7059 -1.4707 0.3714 C.3 1 UNK -0.0127 12 C8 -3.8545 -2.9478 0.0046 C.3 1 UNK -0.0511 13 C9 2.4866 -0.0823 -0.2732 C.ar 1 UNK 0.0394 14 C10 -5.1073 -3.5514 0.6191 C.3 1 UNK -0.0651 15 C11 3.4503 0.7182 0.3220 C.ar 1 UNK -0.0290 16 C12 2.7533 -1.4039 -0.5985 C.ar 1 UNK -0.0290 17 C13 4.7093 0.1851 0.5982 C.ar 1 UNK -0.0571 18 C14 4.0123 -1.9372 -0.3223 C.ar 1 UNK -0.0571 19 C15 3.1796 2.1440 0.6791 C.3 1 UNK -0.0379 20 C16 1.7266 -2.2802 -1.2398 C.3 1 UNK -0.0379 21 C17 4.9903 -1.1427 0.2761 C.ar 1 UNK -0.0611 22 H -2.2753 0.6290 1.1414 H 1 UNK 0.2041 23 H1 1.0989 0.8778 -1.4379 H 1 UNK 0.1550 24 H2 -1.0623 1.0071 -1.4547 H 1 UNK 0.0950 25 H3 -0.0996 3.0365 -0.5445 H 1 UNK 0.0325 26 H4 -0.9203 2.7484 0.9895 H 1 UNK 0.0325 27 H5 -4.3751 0.8198 0.0384 H 1 UNK 0.0815 28 H6 -3.4981 1.1623 -1.4558 H 1 UNK 0.0815 29 H7 -2.2067 3.3855 -1.6409 H 1 UNK 0.0269 30 H8 -2.1473 4.4059 -0.2190 H 1 UNK 0.0269 31 H9 -3.5021 2.8567 1.0178 H 1 UNK 0.0317 32 H10 -4.3066 3.2169 -0.5036 H 1 UNK 0.0317 33 H11 -1.5815 -1.4077 0.1714 H 1 UNK 0.0815 34 H12 -2.4586 -0.9786 -1.2851 H 1 UNK 0.0815 35 H13 -4.5476 -0.9303 -0.0086 H 1 UNK 0.0317 36 H14 -3.6555 -1.3895 1.4371 H 1 UNK 0.0317 37 H15 -2.9995 -3.4825 0.3623 H 1 UNK 0.0264 38 H16 -3.9331 -3.0230 -1.0599 H 1 UNK 0.0264 39 H17 -5.0486 -3.4860 1.6855 H 1 UNK 0.0230 40 H18 -5.1880 -4.5781 0.3286 H 1 UNK 0.0230 41 H19 -5.9671 -3.0150 0.2757 H 1 UNK 0.0230 42 H20 5.4328 0.7730 1.0408 H 1 UNK 0.0621 43 H21 4.2202 -2.9195 -0.5607 H 1 UNK 0.0621 44 H22 2.1767 2.3963 0.4043 H 1 UNK 0.0278 45 H23 3.8633 2.7789 0.1553 H 1 UNK 0.0278 46 H24 3.3049 2.2776 1.7333 H 1 UNK 0.0278 47 H25 0.8232 -1.7250 -1.3832 H 1 UNK 0.0278 48 H26 1.5316 -3.1219 -0.6086 H 1 UNK 0.0278 49 H27 2.0899 -2.6211 -2.1867 H 1 UNK 0.0278 50 H28 5.9217 -1.5373 0.4805 H 1 UNK 0.0618 @BOND 1 1 10 2 2 2 4 1 3 2 6 1 4 2 9 1 5 3 10 am 6 3 13 1 7 4 5 1 8 4 10 1 9 5 7 1 10 6 8 1 11 7 8 1 12 9 11 1 13 11 12 1 14 12 14 1 15 13 15 ar 16 13 16 ar 17 15 17 ar 18 15 19 1 19 16 18 ar 20 16 20 1 21 17 21 ar 22 18 21 ar 23 2 22 1 24 3 23 1 25 4 24 1 26 5 25 1 27 5 26 1 28 6 27 1 29 6 28 1 30 7 29 1 31 7 30 1 32 8 31 1 33 8 32 1 34 9 33 1 35 9 34 1 36 11 35 1 37 11 36 1 38 12 37 1 39 12 38 1 40 14 39 1 41 14 40 1 42 14 41 1 43 17 42 1 44 18 43 1 45 19 44 1 46 19 45 1 47 19 46 1 48 20 47 1 49 20 48 1 50 20 49 1 51 21 50 1