@MOLECULE FDBD02131 41 42 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.6414 -2.4817 -4.7816 C.3 1 UNK -0.0645 2 C1 1.7306 -1.9190 -3.6886 C.3 1 UNK -0.0463 3 C2 1.7645 -2.8438 -2.4702 C.3 1 UNK 0.0054 4 S 0.6847 -2.1766 -1.1743 S.3 1 UNK -0.0283 5 P -1.2568 -2.6574 -1.8770 P.3 1 UNK 0.4428 6 O -2.2579 -2.2904 -0.8506 O.2 1 UNK -0.2333 7 O1 -1.5542 -1.8415 -3.2327 O.3 1 UNK -0.2914 8 C3 -1.6524 -0.4166 -3.2778 C.3 1 UNK 0.0558 9 C4 -2.0623 0.0221 -4.6851 C.3 1 UNK -0.0410 10 O2 -1.3448 -4.2378 -2.1716 O.3 1 UNK -0.4087 11 C5 -1.2140 -5.0165 -1.0615 C.ar 1 UNK 0.2173 12 C6 -0.0121 -5.5164 -0.5416 C.ar 1 UNK 0.1088 13 N -0.2855 -6.2188 0.5287 N.ar 1 UNK -0.1610 14 N1 -1.6714 -6.1927 0.7307 N.ar 1 UNK -0.0734 15 C7 -2.2228 -5.4401 -0.2607 C.ar 1 UNK 0.2459 16 C8 -2.3662 -6.8247 1.7714 C.ar 1 UNK 0.2380 17 C9 -3.7486 -6.7208 1.8482 C.ar 1 UNK 0.0138 18 C10 -4.4309 -7.3446 2.8742 C.ar 1 UNK -0.0371 19 C11 -3.7379 -8.0729 3.8252 C.ar 1 UNK 0.0414 20 C12 -2.3600 -8.1777 3.7510 C.ar 1 UNK -0.0371 21 C13 -1.6737 -7.5603 2.7238 C.ar 1 UNK 0.0138 22 Cl -4.5984 -8.8560 5.1136 Cl 1 UNK -0.0835 23 H 2.6176 -1.8349 -5.6336 H 1 UNK 0.0230 24 H1 2.3002 -3.4558 -5.0637 H 1 UNK 0.0230 25 H2 3.6433 -2.5479 -4.4119 H 1 UNK 0.0230 26 H3 0.7287 -1.8528 -4.0583 H 1 UNK 0.0271 27 H4 2.0718 -0.9449 -3.4065 H 1 UNK 0.0271 28 H5 2.7664 -2.9100 -2.1005 H 1 UNK 0.0382 29 H6 1.4232 -3.8179 -2.7522 H 1 UNK 0.0382 30 H7 -0.7043 0.0142 -3.0319 H 1 UNK 0.0563 31 H8 -2.3873 -0.0873 -2.5733 H 1 UNK 0.0563 32 H9 -1.3274 -0.3072 -5.3896 H 1 UNK 0.0252 33 H10 -2.1358 1.0890 -4.7189 H 1 UNK 0.0252 34 H11 -3.0104 -0.4087 -4.9310 H 1 UNK 0.0252 35 H12 0.9284 -5.3577 -0.9356 H 1 UNK 0.0902 36 H13 0.3708 -6.6856 1.0949 H 1 UNK 0.2365 37 H14 -3.2261 -5.2302 -0.3809 H 1 UNK 0.1445 38 H15 -4.2659 -6.1779 1.1392 H 1 UNK 0.0685 39 H16 -5.4584 -7.2675 2.9317 H 1 UNK 0.0634 40 H17 -1.8449 -8.7176 4.4638 H 1 UNK 0.0634 41 H18 -0.6470 -7.6456 2.6642 H 1 UNK 0.0685 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 5 10 1 8 7 8 1 9 8 9 1 10 10 11 1 11 11 15 ar 12 11 12 ar 13 12 13 ar 14 13 14 ar 15 14 15 ar 16 14 16 1 17 16 21 ar 18 16 17 ar 19 17 18 ar 20 18 19 ar 21 19 20 ar 22 19 22 1 23 20 21 ar 24 1 23 1 25 1 24 1 26 1 25 1 27 2 26 1 28 2 27 1 29 3 28 1 30 3 29 1 31 8 30 1 32 8 31 1 33 9 32 1 34 9 33 1 35 9 34 1 36 12 35 1 37 13 36 1 38 15 37 1 39 17 38 1 40 18 39 1 41 20 40 1 42 21 41 1