@MOLECULE FDBD03054 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6056 1.6167 -0.1356 C.3 1 UNK -0.0572 2 C1 -0.2511 0.1285 -0.1544 C.3 1 UNK -0.0018 3 C2 0.6951 -0.1851 1.0063 C.3 1 UNK -0.0572 4 C3 -1.5281 -0.7019 -0.0101 C.3 1 UNK -0.0572 5 C4 0.4342 -0.2159 -1.4783 C.3 1 UNK 0.1467 6 C5 1.7723 0.4740 -1.5457 C.2 1 UNK 0.2474 7 C6 2.8965 -0.2445 -1.5045 C.2 1 UNK 0.0193 8 C7 2.8364 -1.7153 -1.6095 C.ar 1 UNK -0.0006 9 C8 1.8320 -2.4252 -0.9481 C.ar 1 UNK -0.0516 10 C9 1.7809 -3.7995 -1.0505 C.ar 1 UNK -0.0427 11 C10 2.7228 -4.4766 -1.8073 C.ar 1 UNK 0.0424 12 C11 3.7217 -3.7798 -2.4654 C.ar 1 UNK -0.0245 13 C12 3.7809 -2.4033 -2.3759 C.ar 1 UNK 0.0497 14 Cl 5.0340 -1.5306 -3.2015 Cl 1 UNK -0.0829 15 Cl1 2.6509 -6.2067 -1.9306 Cl 1 UNK -0.0835 16 N 1.8359 1.8600 -1.6508 N.ar 1 UNK -0.0345 17 C13 2.9165 2.6383 -1.4387 C.ar 1 UNK 0.2789 18 N1 2.5646 3.8826 -1.6392 N.ar 1 UNK -0.2924 19 C14 1.2771 3.9398 -1.9782 C.ar 1 UNK 0.1656 20 N2 0.7891 2.7268 -2.0048 N.ar 1 UNK 0.0198 21 O -0.3829 0.2223 -2.5657 O.3 1 UNK -0.3805 22 H -1.0849 1.8575 0.7903 H 1 UNK 0.0236 23 H1 -1.2673 1.8360 -0.9474 H 1 UNK 0.0236 24 H2 0.2874 2.1974 -0.2366 H 1 UNK 0.0236 25 H3 0.2159 0.0557 1.9322 H 1 UNK 0.0236 26 H4 1.5882 0.3955 0.9053 H 1 UNK 0.0236 27 H5 0.9430 -1.2259 0.9932 H 1 UNK 0.0236 28 H6 -2.0074 -0.4611 0.9157 H 1 UNK 0.0236 29 H7 -1.2801 -1.7427 -0.0232 H 1 UNK 0.0236 30 H8 -2.1898 -0.4826 -0.8219 H 1 UNK 0.0236 31 H9 0.5752 -1.2747 -1.5421 H 1 UNK 0.0711 32 H10 3.8077 0.2285 -1.3992 H 1 UNK 0.0688 33 H11 1.1294 -1.9223 -0.3838 H 1 UNK 0.0624 34 H12 1.0390 -4.3248 -0.5620 H 1 UNK 0.0632 35 H13 4.4235 -4.2902 -3.0240 H 1 UNK 0.0647 36 H14 3.8562 2.3102 -1.1661 H 1 UNK 0.1628 37 H15 3.1619 4.6604 -1.5525 H 1 UNK 0.1720 38 H16 0.7501 4.8023 -2.1862 H 1 UNK 0.1090 39 H17 -0.5107 1.1821 -2.5078 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 21 1 7 6 7 2 8 6 16 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 15 1 16 12 13 ar 17 13 14 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 5 31 1 33 7 32 1 34 9 33 1 35 10 34 1 36 12 35 1 37 17 36 1 38 18 37 1 39 19 38 1 40 21 39 1