@MOLECULE FDBD02153 39 39 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0493 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK 0.0120 3 N 0.6878 -0.4765 -1.2033 N.pl3 1 UNK -0.3001 4 C2 2.1353 -0.7012 -1.1821 C.3 1 UNK 0.0120 5 C3 2.4212 -2.1448 -0.7635 C.3 1 UNK -0.0493 6 C4 -0.0319 -0.7106 -2.3620 C.ar 1 UNK 0.2211 7 N1 0.6038 -1.1428 -3.4412 N.ar 1 UNK -0.2194 8 C5 -0.0516 -1.3776 -4.5678 C.ar 1 UNK 0.0469 9 C6 0.6830 -1.8695 -5.7882 C.3 1 UNK -0.0221 10 C7 -1.4172 -1.1670 -4.6118 C.ar 1 UNK 0.0215 11 C8 -2.0576 -0.7121 -3.4603 C.ar 1 UNK 0.2268 12 N2 -1.3399 -0.5021 -2.3633 N.ar 1 UNK -0.1790 13 O -3.3947 -0.4919 -3.4591 O.3 1 UNK -0.4079 14 P -4.2694 -1.7758 -3.0364 P.3 1 UNK 0.3620 15 S -3.5066 -2.5814 -1.5391 S.2 1 UNK 0.0363 16 O1 -5.7713 -1.3112 -2.6893 O.3 1 UNK -0.3050 17 C9 -6.7011 -2.1418 -1.9910 C.3 1 UNK 0.0464 18 O2 -4.3012 -2.8282 -4.2544 O.3 1 UNK -0.3050 19 C10 -3.1885 -3.6573 -4.5959 C.3 1 UNK 0.0464 20 H -0.5195 1.8709 0.8907 H 1 UNK 0.0245 21 H1 -0.5362 1.8802 -0.8565 H 1 UNK 0.0245 22 H2 0.9851 1.8962 0.0028 H 1 UNK 0.0245 23 H3 -1.0017 -0.3745 0.0096 H 1 UNK 0.0462 24 H4 0.5196 -0.3585 0.8689 H 1 UNK 0.0462 25 H5 2.5902 -0.0305 -0.4834 H 1 UNK 0.0462 26 H6 2.5377 -0.5265 -2.1580 H 1 UNK 0.0462 27 H7 2.0188 -2.3195 0.2124 H 1 UNK 0.0245 28 H8 3.4784 -2.3089 -0.7480 H 1 UNK 0.0245 29 H9 1.9663 -2.8155 -1.4622 H 1 UNK 0.0245 30 H10 1.7237 -1.9711 -5.5612 H 1 UNK 0.0293 31 H11 0.5589 -1.1676 -6.5862 H 1 UNK 0.0293 32 H12 0.2880 -2.8190 -6.0837 H 1 UNK 0.0293 33 H13 -1.9505 -1.3426 -5.4777 H 1 UNK 0.0689 34 H14 -7.6290 -1.6212 -1.8775 H 1 UNK 0.0529 35 H15 -6.3078 -2.3843 -1.0259 H 1 UNK 0.0529 36 H16 -6.8627 -3.0418 -2.5467 H 1 UNK 0.0529 37 H17 -3.4447 -4.2704 -5.4346 H 1 UNK 0.0529 38 H18 -2.9384 -4.2797 -3.7623 H 1 UNK 0.0529 39 H19 -2.3493 -3.0426 -4.8466 H 1 UNK 0.0529 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 6 1 5 4 5 1 6 6 12 ar 7 6 7 ar 8 7 8 ar 9 8 9 1 10 8 10 ar 11 10 11 ar 12 11 12 ar 13 11 13 1 14 13 14 1 15 14 15 2 16 14 16 1 17 14 18 1 18 16 17 1 19 18 19 1 20 1 20 1 21 1 21 1 22 1 22 1 23 2 23 1 24 2 24 1 25 4 25 1 26 4 26 1 27 5 27 1 28 5 28 1 29 5 29 1 30 9 30 1 31 9 31 1 32 9 32 1 33 10 33 1 34 17 34 1 35 17 35 1 36 17 36 1 37 19 37 1 38 19 38 1 39 19 39 1