@MOLECULE FDBD03099 41 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0647 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK -0.0492 3 C2 0.7182 -0.4975 -1.2568 C.3 1 UNK -0.0153 4 C3 0.8493 -2.0210 -1.2049 C.3 1 UNK -0.0583 5 C4 -0.0771 -0.1029 -2.4745 C.ar 1 UNK 0.0024 6 C5 -1.3755 -0.5499 -2.6270 C.ar 1 UNK -0.0244 7 C6 -2.1054 -0.1887 -3.7441 C.ar 1 UNK 0.1289 8 C7 -1.5384 0.6207 -4.7114 C.ar 1 UNK 0.0024 9 C8 -0.2407 1.0702 -4.5635 C.ar 1 UNK 0.1708 10 C9 0.4918 0.7141 -3.4403 C.ar 1 UNK 0.1687 11 O 1.7691 1.1552 -3.2925 O.3 1 UNK -0.3923 12 C10 1.9406 2.3277 -2.6546 C.2 1 UNK 0.5159 13 O1 0.9772 2.9405 -2.2411 O.2 1 UNK -0.2024 14 O2 3.1794 2.8209 -2.4749 O.3 1 UNK -0.4308 15 C11 3.2890 4.0903 -1.7786 C.3 1 UNK 0.1009 16 C12 4.6182 4.1443 -1.0228 C.3 1 UNK -0.0279 17 C13 3.2318 5.2347 -2.7924 C.3 1 UNK -0.0279 18 N 0.3660 1.9357 -5.5998 N.pl3 1 UNK 0.0601 19 O3 -0.2791 2.2518 -6.5834 O.2 1 UNK -0.1260 20 O4 1.5103 2.3318 -5.4689 O.2 1 UNK -0.1260 21 N1 -3.4961 -0.6694 -3.9052 N.pl3 1 UNK 0.0565 22 O5 -3.9964 -1.3826 -3.0540 O.2 1 UNK -0.1261 23 O6 -4.1401 -0.3517 -4.8890 O.2 1 UNK -0.1261 24 H -0.5195 1.8709 0.8908 H 1 UNK 0.0230 25 H1 -0.5363 1.8802 -0.8564 H 1 UNK 0.0230 26 H2 0.9851 1.8962 0.0028 H 1 UNK 0.0230 27 H3 -1.0017 -0.3745 0.0096 H 1 UNK 0.0268 28 H4 0.5197 -0.3585 0.8688 H 1 UNK 0.0268 29 H5 1.6921 -0.0573 -1.3089 H 1 UNK 0.0347 30 H6 -0.1246 -2.4612 -1.1528 H 1 UNK 0.0236 31 H7 1.4140 -2.3011 -0.3403 H 1 UNK 0.0236 32 H8 1.3501 -2.3661 -2.0852 H 1 UNK 0.0236 33 H9 -1.8008 -1.1539 -1.9064 H 1 UNK 0.0644 34 H10 -2.0852 0.8891 -5.5444 H 1 UNK 0.0664 35 H11 2.4801 4.1876 -1.0849 H 1 UNK 0.0729 36 H12 5.4271 4.0470 -1.7164 H 1 UNK 0.0265 37 H13 4.6581 3.3439 -0.3138 H 1 UNK 0.0265 38 H14 4.6990 5.0798 -0.5097 H 1 UNK 0.0265 39 H15 4.0406 5.1374 -3.4861 H 1 UNK 0.0265 40 H16 3.3126 6.1701 -2.2793 H 1 UNK 0.0265 41 H17 2.3022 5.1969 -3.3209 H 1 UNK 0.0265 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 5 10 ar 6 5 6 ar 7 6 7 ar 8 7 8 ar 9 7 21 1 10 8 9 ar 11 9 10 ar 12 9 18 1 13 10 11 1 14 11 12 1 15 12 13 2 16 12 14 1 17 14 15 1 18 15 16 1 19 15 17 1 20 18 19 2 21 18 20 2 22 21 22 2 23 21 23 2 24 1 24 1 25 1 25 1 26 1 26 1 27 2 27 1 28 2 28 1 29 3 29 1 30 4 30 1 31 4 31 1 32 4 32 1 33 6 33 1 34 8 34 1 35 15 35 1 36 16 36 1 37 16 37 1 38 16 38 1 39 17 39 1 40 17 40 1 41 17 41 1