@MOLECULE FDBD03075 44 45 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.8516 0.6427 -2.1621 C.3 1 UNK -0.0572 2 C1 1.0311 -0.2186 -1.1999 C.3 1 UNK -0.0028 3 C2 1.9537 -0.8121 -0.1334 C.3 1 UNK -0.0572 4 C3 -0.0372 0.6452 -0.5267 C.3 1 UNK -0.0572 5 C4 0.3563 -1.3504 -1.9775 C.3 1 UNK 0.1322 6 C5 1.2881 -1.8293 -3.0926 C.3 1 UNK -0.0134 7 C6 1.2456 -0.8351 -4.2548 C.3 1 UNK -0.0248 8 C7 2.3042 -1.1971 -5.2644 C.ar 1 UNK -0.0472 9 C8 3.5758 -0.6661 -5.1529 C.ar 1 UNK -0.0572 10 C9 4.5471 -0.9978 -6.0785 C.ar 1 UNK -0.0431 11 C10 4.2467 -1.8612 -7.1169 C.ar 1 UNK 0.0410 12 C11 2.9740 -2.3923 -7.2281 C.ar 1 UNK -0.0431 13 C12 2.0050 -2.0643 -6.2985 C.ar 1 UNK -0.0572 14 Cl 5.4660 -2.2778 -8.2803 Cl 1 UNK -0.0835 15 C13 0.0566 -2.5129 -1.0290 C.3 1 UNK 0.2065 16 N -1.1676 -2.2263 -0.2770 N.ar 1 UNK -0.0686 17 C14 -2.4255 -2.5334 -0.6381 C.ar 1 UNK 0.2726 18 N1 -3.2323 -2.1102 0.3009 N.ar 1 UNK -0.2928 19 C15 -2.5294 -1.5305 1.2732 C.ar 1 UNK 0.1651 20 N2 -1.2596 -1.5817 0.9674 N.ar 1 UNK 0.0138 21 O -0.8642 -0.8745 -2.5483 O.3 1 UNK -0.3817 22 H 2.3235 1.4342 -1.6183 H 1 UNK 0.0236 23 H1 1.2064 1.0577 -2.9080 H 1 UNK 0.0236 24 H2 2.5987 0.0385 -2.6329 H 1 UNK 0.0236 25 H3 2.4256 -0.0206 0.4104 H 1 UNK 0.0236 26 H4 2.7008 -1.4163 -0.6043 H 1 UNK 0.0236 27 H5 1.3799 -1.4145 0.5395 H 1 UNK 0.0236 28 H6 0.4347 1.4367 0.0171 H 1 UNK 0.0236 29 H7 -0.6110 0.0428 0.1462 H 1 UNK 0.0236 30 H8 -0.6825 1.0602 -1.2726 H 1 UNK 0.0236 31 H9 0.9696 -2.7918 -3.4348 H 1 UNK 0.0298 32 H10 2.2879 -1.8970 -2.7175 H 1 UNK 0.0298 33 H11 1.4274 0.1527 -3.8860 H 1 UNK 0.0314 34 H12 0.2825 -0.8706 -4.7195 H 1 UNK 0.0314 35 H13 3.7998 -0.0219 -4.3784 H 1 UNK 0.0621 36 H14 5.4963 -0.6015 -5.9951 H 1 UNK 0.0632 37 H15 2.7482 -3.0332 -8.0049 H 1 UNK 0.0632 38 H16 1.0580 -2.4669 -6.3765 H 1 UNK 0.0621 39 H17 0.8726 -2.6372 -0.3481 H 1 UNK 0.1085 40 H18 -0.0749 -3.4109 -1.5958 H 1 UNK 0.1085 41 H19 -2.7059 -3.0184 -1.5048 H 1 UNK 0.1623 42 H20 -4.2121 -2.2058 0.2906 H 1 UNK 0.1720 43 H21 -2.9236 -1.1094 2.1289 H 1 UNK 0.1090 44 H22 -0.6741 -0.1375 -3.1496 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 15 1 7 5 21 1 8 6 7 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 16 1 18 16 20 ar 19 16 17 ar 20 17 18 ar 21 18 19 ar 22 19 20 ar 23 1 22 1 24 1 23 1 25 1 24 1 26 3 25 1 27 3 26 1 28 3 27 1 29 4 28 1 30 4 29 1 31 4 30 1 32 6 31 1 33 6 32 1 34 7 33 1 35 7 34 1 36 9 35 1 37 10 36 1 38 12 37 1 39 13 38 1 40 15 39 1 41 15 40 1 42 17 41 1 43 18 42 1 44 19 43 1 45 21 44 1