@MOLECULE FDBD01916 49 52 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.9062 -0.6655 -0.6563 C.3 1 UNK -0.0464 2 C1 -0.8444 -2.0806 -0.0777 C.3 1 UNK 0.0234 3 C2 -0.3226 -3.0453 -1.1444 C.3 1 UNK -0.0228 4 C3 -1.1409 -4.3096 -1.4145 C.3 1 UNK -0.0482 5 C4 -1.1301 -3.1723 -2.4378 C.3 1 UNK -0.0482 6 N 0.0560 -2.0968 1.0778 N.am 1 UNK -0.3084 7 C5 -0.4065 -1.7575 2.2974 C.2 1 UNK 0.2462 8 O -1.5712 -1.4380 2.4386 O.2 1 UNK -0.2701 9 C6 0.5001 -1.7738 3.4608 C.ar 1 UNK 0.0603 10 C7 1.8091 -2.2427 3.3249 C.ar 1 UNK -0.0294 11 C8 2.6522 -2.2552 4.4160 C.ar 1 UNK 0.0429 12 C9 2.2072 -1.8045 5.6496 C.ar 1 UNK -0.0276 13 C10 0.9161 -1.3384 5.7987 C.ar 1 UNK 0.0412 14 C11 0.0548 -1.3133 4.7085 C.ar 1 UNK 0.0601 15 N1 -1.2475 -0.8432 4.8565 N.am 1 UNK -0.2787 16 C12 -1.9989 -1.2562 5.8964 C.2 1 UNK 0.2668 17 O1 -1.5613 -2.0849 6.6718 O.2 1 UNK -0.2682 18 C13 -3.3478 -0.7049 6.0935 C.ar 1 UNK 0.1321 19 C14 -4.0231 0.1394 5.2353 C.ar 1 UNK 0.0030 20 C15 -5.2650 0.4168 5.8043 C.ar 1 UNK 0.1292 21 Br -6.5986 1.5250 5.0498 Br 1 UNK -0.0268 22 N2 -5.3569 -0.2166 6.9476 N.ar 1 UNK -0.1574 23 N3 -4.1748 -0.9367 7.1611 N.ar 1 UNK -0.2071 24 C16 -3.8871 -1.7393 8.2677 C.ar 1 UNK 0.1732 25 C17 -4.8778 -1.9950 9.2099 C.ar 1 UNK 0.0851 26 C18 -4.5786 -2.7929 10.3019 C.ar 1 UNK -0.0383 27 C19 -3.2948 -3.3083 10.4128 C.ar 1 UNK -0.0421 28 C20 -2.3609 -3.0127 9.4388 C.ar 1 UNK 0.0300 29 N4 -2.6761 -2.2539 8.4072 N.ar 1 UNK -0.2349 30 Cl -6.4672 -1.3229 9.0202 Cl 1 UNK -0.0797 31 Br1 0.3215 -0.7272 7.4866 Br 1 UNK -0.0483 32 Cl1 4.2783 -2.8383 4.2446 Cl 1 UNK -0.0835 33 H 0.0914 -0.3568 -0.9687 H 1 UNK 0.0248 34 H1 -1.5761 -0.6534 -1.5160 H 1 UNK 0.0248 35 H2 -1.2779 0.0218 0.1036 H 1 UNK 0.0248 36 H3 -1.8420 -2.3892 0.2347 H 1 UNK 0.0498 37 H4 0.7621 -3.1221 -1.2188 H 1 UNK 0.0319 38 H5 -0.5945 -5.2185 -1.6664 H 1 UNK 0.0269 39 H6 -2.0510 -4.4541 -0.8321 H 1 UNK 0.0269 40 H7 -2.0330 -2.5685 -2.5288 H 1 UNK 0.0269 41 H8 -0.5766 -3.3330 -3.3630 H 1 UNK 0.0269 42 H9 0.9851 -2.3517 0.9651 H 1 UNK 0.1493 43 H10 2.1602 -2.5954 2.3664 H 1 UNK 0.0640 44 H11 2.8743 -1.8186 6.4989 H 1 UNK 0.0644 45 H12 -1.6139 -0.2185 4.2112 H 1 UNK 0.1552 46 H13 -3.6553 0.5175 4.2929 H 1 UNK 0.0668 47 H14 -5.3271 -3.0087 11.0500 H 1 UNK 0.0634 48 H15 -3.0286 -3.9337 11.2521 H 1 UNK 0.0633 49 H16 -1.3607 -3.4116 9.5210 H 1 UNK 0.0830 @BOND 1 1 2 1 2 1 33 1 3 1 34 1 4 1 35 1 5 2 3 1 6 2 6 1 7 2 36 1 8 3 5 1 9 3 4 1 10 3 37 1 11 4 5 1 12 4 38 1 13 4 39 1 14 5 40 1 15 5 41 1 16 6 7 am 17 6 42 1 18 7 8 2 19 7 9 1 20 9 14 ar 21 9 10 ar 22 10 11 ar 23 10 43 1 24 11 12 ar 25 11 32 1 26 12 13 ar 27 12 44 1 28 13 14 ar 29 13 31 1 30 14 15 1 31 15 16 am 32 15 45 1 33 16 17 2 34 16 18 1 35 18 23 ar 36 18 19 ar 37 19 20 ar 38 19 46 1 39 20 21 1 40 20 22 ar 41 22 23 ar 42 23 24 1 43 24 29 ar 44 24 25 ar 45 25 26 ar 46 25 30 1 47 26 27 ar 48 26 47 1 49 27 28 ar 50 27 48 1 51 28 29 ar 52 28 49 1