@MOLECULE FDBD02904 50 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.5547 0.6534 -0.3785 C.3 1 UNK -0.0192 2 C1 0.4364 -0.8376 -0.1938 C.2 1 UNK 0.0770 3 N 0.3235 -1.3369 0.9991 N.2 1 UNK -0.0896 4 O 0.3116 -0.4807 2.1269 O.2 1 UNK -0.3888 5 C2 0.1819 -1.1648 3.3747 C.3 1 UNK 0.1435 6 C3 0.1807 -0.1620 4.4996 C.ar 1 UNK 0.0016 7 C4 0.3231 1.1833 4.2268 C.ar 1 UNK -0.0546 8 C5 0.3221 2.1049 5.2583 C.ar 1 UNK -0.0614 9 C6 0.1785 1.6848 6.5688 C.ar 1 UNK -0.0611 10 C7 0.0354 0.3427 6.8542 C.ar 1 UNK -0.0519 11 C8 0.0298 -0.5910 5.8179 C.ar 1 UNK 0.0151 12 C9 -0.1239 -2.0339 6.1175 C.2 1 UNK 0.1714 13 N1 0.8046 -2.6641 6.7760 N.2 1 UNK -0.0795 14 O1 2.0225 -2.0105 7.0832 O.2 1 UNK -0.3965 15 C10 2.9499 -2.8203 7.8087 C.3 1 UNK 0.1072 16 C11 -1.3349 -2.7589 5.6674 C.2 1 UNK 0.2660 17 O2 -2.2478 -2.1509 5.1444 O.2 1 UNK -0.2684 18 N2 -1.4239 -4.0929 5.8378 N.am 1 UNK -0.3131 19 C12 -2.6214 -4.8099 5.3927 C.3 1 UNK 0.0004 20 C13 0.4487 -1.7221 -1.3587 C.2 1 UNK -0.0369 21 C14 0.3428 -3.0555 -1.1936 C.2 1 UNK -0.0500 22 C15 0.3552 -3.9455 -2.3657 C.ar 1 UNK 0.0117 23 C16 -0.4828 -3.6850 -3.4556 C.ar 1 UNK 0.0495 24 C17 -0.4650 -4.5248 -4.5510 C.ar 1 UNK -0.0427 25 C18 0.3781 -5.6218 -4.5729 C.ar 1 UNK -0.0590 26 C19 1.2100 -5.8866 -3.4993 C.ar 1 UNK -0.0427 27 C20 1.2092 -5.0535 -2.3987 C.ar 1 UNK 0.0495 28 Cl 2.2537 -5.3879 -1.0531 Cl 1 UNK -0.0829 29 Cl1 -1.5422 -2.3100 -3.4301 Cl 1 UNK -0.0829 30 H 1.6062 0.9398 -0.3568 H 1 UNK 0.0294 31 H1 0.1208 0.9363 -1.3375 H 1 UNK 0.0294 32 H2 0.0228 1.1624 0.4253 H 1 UNK 0.0294 33 H3 -0.7529 -1.7252 3.3865 H 1 UNK 0.0775 34 H4 1.0189 -1.8516 3.5012 H 1 UNK 0.0775 35 H5 0.4358 1.5171 3.2059 H 1 UNK 0.0622 36 H6 0.4341 3.1567 5.0399 H 1 UNK 0.0618 37 H7 0.1788 2.4091 7.3700 H 1 UNK 0.0618 38 H8 -0.0762 0.0159 7.8775 H 1 UNK 0.0624 39 H9 3.8563 -2.2477 8.0049 H 1 UNK 0.0687 40 H10 2.5022 -3.1272 8.7539 H 1 UNK 0.0687 41 H11 3.1984 -3.7037 7.2206 H 1 UNK 0.0687 42 H12 -0.6952 -4.5782 6.2553 H 1 UNK 0.1487 43 H13 -2.7490 -4.6725 4.3189 H 1 UNK 0.0426 44 H14 -2.5119 -5.8718 5.6127 H 1 UNK 0.0426 45 H15 -3.4944 -4.4187 5.9152 H 1 UNK 0.0426 46 H16 0.5426 -1.3066 -2.3512 H 1 UNK 0.0637 47 H17 0.2489 -3.4710 -0.2011 H 1 UNK 0.0625 48 H18 -1.1111 -4.3253 -5.3930 H 1 UNK 0.0632 49 H19 0.3867 -6.2753 -5.4327 H 1 UNK 0.0618 50 H20 1.8647 -6.7452 -3.5243 H 1 UNK 0.0632 @BOND 1 1 2 1 2 1 30 1 3 1 31 1 4 1 32 1 5 2 3 2 6 2 20 1 7 3 4 1 8 4 5 1 9 5 6 1 10 5 33 1 11 5 34 1 12 6 11 ar 13 6 7 ar 14 7 8 ar 15 7 35 1 16 8 9 ar 17 8 36 1 18 9 10 ar 19 9 37 1 20 10 11 ar 21 10 38 1 22 11 12 1 23 12 13 2 24 12 16 1 25 13 14 1 26 14 15 1 27 15 39 1 28 15 40 1 29 15 41 1 30 16 17 2 31 16 18 am 32 18 19 1 33 18 42 1 34 19 43 1 35 19 44 1 36 19 45 1 37 20 21 2 38 20 46 1 39 21 22 1 40 21 47 1 41 22 27 ar 42 22 23 ar 43 23 24 ar 44 23 29 1 45 24 25 ar 46 24 48 1 47 25 26 ar 48 25 49 1 49 26 27 ar 50 26 50 1 51 27 28 1