@MOLECULE FDBD03080 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.3603 0.9244 0.0110 C.3 1 UNK -0.0572 2 C1 0.3711 -0.2223 0.2287 C.3 1 UNK -0.0018 3 C2 0.9940 -1.2632 1.1611 C.3 1 UNK -0.0572 4 C3 -0.9120 0.3236 0.8584 C.3 1 UNK -0.0572 5 C4 0.0420 -0.8741 -1.1159 C.3 1 UNK 0.1467 6 C5 1.3094 -1.0514 -1.9117 C.2 1 UNK 0.2474 7 C6 1.4690 -0.4009 -3.0664 C.2 1 UNK 0.0179 8 C7 0.3591 0.3964 -3.6237 C.ar 1 UNK -0.0189 9 C8 -0.0499 0.2016 -4.9447 C.ar 1 UNK -0.0530 10 C9 -1.0878 0.9499 -5.4596 C.ar 1 UNK -0.0428 11 C10 -1.7239 1.8927 -4.6697 C.ar 1 UNK 0.0410 12 C11 -1.3231 2.0907 -3.3591 C.ar 1 UNK -0.0428 13 C12 -0.2903 1.3447 -2.8306 C.ar 1 UNK -0.0530 14 Cl -3.0291 2.8310 -5.3255 Cl 1 UNK -0.0835 15 N 2.3130 -1.8931 -1.4431 N.ar 1 UNK -0.0345 16 C13 3.6059 -1.9015 -1.8263 C.ar 1 UNK 0.2789 17 N1 4.2217 -2.8391 -1.1524 N.ar 1 UNK -0.2924 18 C14 3.3627 -3.4472 -0.3348 C.ar 1 UNK 0.1656 19 N2 2.1831 -2.8995 -0.4721 N.ar 1 UNK 0.0198 20 O -0.5621 -2.1496 -0.8918 O.3 1 UNK -0.3805 21 H 1.5905 1.3802 0.9513 H 1 UNK 0.0236 22 H1 0.9246 1.6523 -0.6411 H 1 UNK 0.0236 23 H2 2.2576 0.5426 -0.4294 H 1 UNK 0.0236 24 H3 1.2242 -0.8074 2.1014 H 1 UNK 0.0236 25 H4 1.8913 -1.6450 0.7207 H 1 UNK 0.0236 26 H5 0.3022 -2.0651 1.3133 H 1 UNK 0.0236 27 H6 -0.6819 0.7794 1.7987 H 1 UNK 0.0236 28 H7 -1.6038 -0.4784 1.0106 H 1 UNK 0.0236 29 H8 -1.3476 1.0515 0.2063 H 1 UNK 0.0236 30 H9 -0.6357 -0.2490 -1.6589 H 1 UNK 0.0711 31 H10 2.3685 -0.4555 -3.5694 H 1 UNK 0.0687 32 H11 0.4234 -0.5007 -5.5344 H 1 UNK 0.0624 33 H12 -1.3910 0.8069 -6.4356 H 1 UNK 0.0632 34 H13 -1.7981 2.7979 -2.7766 H 1 UNK 0.0632 35 H14 0.0019 1.4871 -1.8511 H 1 UNK 0.0624 36 H15 4.0345 -1.2779 -2.5280 H 1 UNK 0.1628 37 H16 5.1769 -3.0620 -1.2368 H 1 UNK 0.1720 38 H17 3.5915 -4.2250 0.3038 H 1 UNK 0.1090 39 H18 0.0522 -2.7163 -0.3995 H 1 UNK 0.2105 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 5 20 1 7 6 7 2 8 6 15 1 9 7 8 1 10 8 13 ar 11 8 9 ar 12 9 10 ar 13 10 11 ar 14 11 12 ar 15 11 14 1 16 12 13 ar 17 15 19 ar 18 15 16 ar 19 16 17 ar 20 17 18 ar 21 18 19 ar 22 1 21 1 23 1 22 1 24 1 23 1 25 3 24 1 26 3 25 1 27 3 26 1 28 4 27 1 29 4 28 1 30 4 29 1 31 5 30 1 32 7 31 1 33 9 32 1 34 10 33 1 35 12 34 1 36 13 35 1 37 16 36 1 38 17 37 1 39 18 38 1 40 20 39 1