@MOLECULE FDBD02895 64 63 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0653 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK -0.0559 3 C2 0.7182 -0.4975 -1.2568 C.3 1 UNK -0.0533 4 C3 0.7390 -2.0273 -1.2652 C.3 1 UNK -0.0531 5 C4 1.4551 -2.5207 -2.5240 C.3 1 UNK -0.0531 6 C5 1.4758 -4.0506 -2.5324 C.3 1 UNK -0.0531 7 C6 2.1920 -4.5440 -3.7912 C.3 1 UNK -0.0531 8 C7 2.2127 -6.0738 -3.7996 C.3 1 UNK -0.0531 9 C8 2.9289 -6.5673 -5.0584 C.3 1 UNK -0.0529 10 C9 2.9496 -8.0971 -5.0668 C.3 1 UNK -0.0483 11 C10 3.6658 -8.5905 -6.3257 C.3 1 UNK -0.0126 12 C11 3.6865 -10.1203 -6.3341 C.3 1 UNK -0.0335 13 N 4.3741 -10.5941 -7.5427 N.4 1 UNK 0.2307 14 C12 4.4133 -12.0620 -7.5849 C.3 1 UNK 0.0074 15 C13 5.1353 -12.5166 -8.8549 C.3 1 UNK 0.0076 16 N1 5.1745 -13.9844 -8.8971 N.4 1 UNK 0.2345 17 C14 5.8621 -14.4582 -10.1057 C.3 1 UNK 0.0076 18 C15 5.8828 -15.9880 -10.1141 C.3 1 UNK 0.0078 19 N2 6.5704 -16.4618 -11.3227 N.4 1 UNK 0.2349 20 C16 6.6096 -17.9296 -11.3649 C.3 1 UNK 0.0071 21 C17 7.3208 -18.3774 -12.6158 C.2 1 UNK 0.0862 22 O 7.7509 -17.5578 -13.3925 O.co2 1 UNK -0.5444 23 O1 7.4765 -19.6867 -12.8672 O.co2 1 UNK -0.5444 24 H -0.5195 1.8709 0.8908 H 1 UNK 0.0230 25 H1 -0.5363 1.8802 -0.8564 H 1 UNK 0.0230 26 H2 0.9851 1.8962 0.0028 H 1 UNK 0.0230 27 H3 -1.0017 -0.3745 0.0096 H 1 UNK 0.0263 28 H4 0.5197 -0.3585 0.8688 H 1 UNK 0.0263 29 H5 1.7220 -0.1271 -1.2644 H 1 UNK 0.0265 30 H6 0.2006 -0.1431 -2.1236 H 1 UNK 0.0265 31 H7 -0.2648 -2.3977 -1.2576 H 1 UNK 0.0265 32 H8 1.2566 -2.3817 -0.3984 H 1 UNK 0.0265 33 H9 2.4589 -2.1504 -2.5316 H 1 UNK 0.0265 34 H10 0.9376 -2.1662 -3.3909 H 1 UNK 0.0265 35 H11 0.4720 -4.4209 -2.5249 H 1 UNK 0.0265 36 H12 1.9932 -4.4051 -1.6655 H 1 UNK 0.0265 37 H13 3.1958 -4.1737 -3.7987 H 1 UNK 0.0265 38 H14 1.6746 -4.1895 -4.6581 H 1 UNK 0.0265 39 H15 1.2089 -6.4441 -3.7920 H 1 UNK 0.0265 40 H16 2.7302 -6.4283 -2.9327 H 1 UNK 0.0265 41 H17 3.9327 -6.1970 -5.0660 H 1 UNK 0.0265 42 H18 2.4114 -6.2128 -5.9253 H 1 UNK 0.0265 43 H19 1.9458 -8.4674 -5.0592 H 1 UNK 0.0267 44 H20 3.4671 -8.4516 -4.1999 H 1 UNK 0.0267 45 H21 4.6696 -8.2202 -6.3333 H 1 UNK 0.0317 46 H22 3.1483 -8.2360 -7.1926 H 1 UNK 0.0317 47 H23 2.6827 -10.4906 -6.3265 H 1 UNK 0.0814 48 H24 4.2040 -10.4748 -5.4672 H 1 UNK 0.0814 49 H25 5.3287 -10.2347 -7.5459 H 1 UNK 0.2015 50 H26 3.8633 -10.2591 -8.3596 H 1 UNK 0.2015 51 H27 3.4144 -12.4456 -7.5858 H 1 UNK 0.0867 52 H28 4.9358 -12.4297 -6.7266 H 1 UNK 0.0867 53 H29 6.1342 -12.1330 -8.8540 H 1 UNK 0.0867 54 H30 4.6128 -12.1489 -9.7132 H 1 UNK 0.0867 55 H31 4.2199 -14.3438 -8.8939 H 1 UNK 0.2018 56 H32 5.6853 -14.3194 -8.0802 H 1 UNK 0.2018 57 H33 6.8659 -14.0879 -10.1133 H 1 UNK 0.0867 58 H34 5.3446 -14.1037 -10.9726 H 1 UNK 0.0867 59 H35 4.8790 -16.3583 -10.1065 H 1 UNK 0.0867 60 H36 6.4003 -16.3425 -9.2472 H 1 UNK 0.0867 61 H37 7.5250 -16.1024 -11.3259 H 1 UNK 0.2019 62 H38 6.0596 -16.1268 -12.1396 H 1 UNK 0.2019 63 H39 5.6107 -18.3132 -11.3658 H 1 UNK 0.0878 64 H40 7.1321 -18.2973 -10.5066 H 1 UNK 0.0878 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 14 15 1 15 15 16 1 16 16 17 1 17 17 18 1 18 18 19 1 19 19 20 1 20 20 21 1 21 21 22 ar 22 21 23 ar 23 1 24 1 24 1 25 1 25 1 26 1 26 2 27 1 27 2 28 1 28 3 29 1 29 3 30 1 30 4 31 1 31 4 32 1 32 5 33 1 33 5 34 1 34 6 35 1 35 6 36 1 36 7 37 1 37 7 38 1 38 8 39 1 39 8 40 1 40 9 41 1 41 9 42 1 42 10 43 1 43 10 44 1 44 11 45 1 45 11 46 1 46 12 47 1 47 12 48 1 48 13 49 1 49 13 50 1 50 14 51 1 51 14 52 1 52 15 53 1 53 15 54 1 54 16 55 1 55 16 56 1 56 17 57 1 57 17 58 1 58 18 59 1 59 18 60 1 60 19 61 1 61 19 62 1 62 20 63 1 63 20 64 1