@MOLECULE FDBD03046 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0113 1.5487 -0.0757 C.3 1 UNK -0.0639 2 C1 -0.0069 0.0188 -0.0633 C.3 1 UNK -0.0398 3 C2 0.7335 -0.4991 -1.2980 C.3 1 UNK 0.0203 4 N 0.8493 -1.9576 -1.2219 N.am 1 UNK -0.2392 5 C3 -0.2559 -2.8049 -1.6767 C.3 1 UNK 0.0546 6 C4 -0.0759 -3.1242 -3.1621 C.3 1 UNK 0.1056 7 O 1.1028 -3.9123 -3.3405 O.3 1 UNK -0.4875 8 C5 1.4098 -4.2847 -4.6116 C.ar 1 UNK 0.1571 9 C6 0.9131 -5.4739 -5.1265 C.ar 1 UNK 0.0854 10 C7 1.2267 -5.8506 -6.4194 C.ar 1 UNK -0.0214 11 C8 2.0353 -5.0432 -7.1995 C.ar 1 UNK 0.0440 12 C9 2.5320 -3.8575 -6.6881 C.ar 1 UNK -0.0214 13 C10 2.2157 -3.4735 -5.3980 C.ar 1 UNK 0.0854 14 Cl 2.8388 -1.9853 -4.7572 Cl 1 UNK -0.0797 15 Cl1 2.4278 -5.5191 -8.8222 Cl 1 UNK -0.0834 16 Cl2 -0.1007 -6.4879 -4.1479 Cl 1 UNK -0.0797 17 C11 1.9727 -2.5198 -0.7336 C.2 1 UNK 0.4897 18 O1 2.0376 -3.7249 -0.5939 O.2 1 UNK -0.1975 19 N1 3.0240 -1.7451 -0.4001 N.am 1 UNK -0.0735 20 C12 2.9713 -0.4909 0.1609 C.2 1 UNK 0.1942 21 C13 4.2427 -0.0860 0.3273 C.2 1 UNK 0.0968 22 N2 5.0564 -1.0574 -0.1160 N.2 1 UNK -0.1960 23 C14 4.3421 -2.0580 -0.5493 C.2 1 UNK 0.2699 24 H -0.5291 1.9109 0.7878 H 1 UNK 0.0230 25 H1 -0.5043 1.8968 -0.9593 H 1 UNK 0.0230 26 H2 0.9964 1.9084 -0.0643 H 1 UNK 0.0230 27 H3 -1.0146 -0.3409 -0.0747 H 1 UNK 0.0278 28 H4 0.4861 -0.3293 0.8203 H 1 UNK 0.0278 29 H5 1.7108 -0.0652 -1.3359 H 1 UNK 0.0466 30 H6 0.1894 -0.2300 -2.1791 H 1 UNK 0.0466 31 H7 -1.1827 -2.2901 -1.5323 H 1 UNK 0.0500 32 H8 -0.2621 -3.7152 -1.1144 H 1 UNK 0.0500 33 H9 0.0178 -2.2124 -3.7141 H 1 UNK 0.0712 34 H10 -0.9262 -3.6692 -3.5153 H 1 UNK 0.0712 35 H11 0.8573 -6.7347 -6.8028 H 1 UNK 0.0648 36 H12 3.1390 -3.2592 -7.2700 H 1 UNK 0.0648 37 H13 2.1199 0.0379 0.4069 H 1 UNK 0.1392 38 H14 4.5418 0.8171 0.7274 H 1 UNK 0.0892 39 H15 4.7123 -2.9387 -0.9396 H 1 UNK 0.1618 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 17 am 6 5 6 1 7 6 7 1 8 7 8 1 9 8 13 ar 10 8 9 ar 11 9 10 ar 12 9 16 1 13 10 11 ar 14 11 12 ar 15 11 15 1 16 12 13 ar 17 13 14 1 18 17 18 2 19 17 19 am 20 19 23 1 21 19 20 1 22 20 21 2 23 21 22 1 24 22 23 2 25 1 24 1 26 1 25 1 27 1 26 1 28 2 27 1 29 2 28 1 30 3 29 1 31 3 30 1 32 5 31 1 33 5 32 1 34 6 33 1 35 6 34 1 36 10 35 1 37 12 36 1 38 20 37 1 39 21 38 1 40 23 39 1