@MOLECULE FDBD01704 56 56 0 0 0 SMALL GASTEIGER @ATOM 1 I -2.2954 1.3499 0.8995 I 1 UNK -0.0411 2 I1 3.7801 1.3370 0.3133 I 1 UNK -0.0411 3 I2 0.7224 -3.9444 0.5155 I 1 UNK -0.0422 4 O -1.2845 4.3315 -0.1354 O.3 1 UNK -0.3880 5 O1 -2.0761 4.5003 -2.7971 O.3 1 UNK -0.3924 6 O2 -4.8197 -0.9318 -1.4779 O.3 1 UNK -0.3880 7 O3 0.9481 4.3652 1.8751 O.2 1 UNK -0.2756 8 O4 -2.1698 -2.1726 1.8979 O.2 1 UNK -0.2701 9 O5 3.8324 -2.1865 1.3197 O.2 1 UNK -0.2701 10 O6 -7.2565 -1.6101 -0.3192 O.3 1 UNK -0.3924 11 O7 5.7608 -1.1080 -2.5552 O.3 1 UNK -0.3935 12 N 0.7461 2.3765 0.6224 N.am 1 UNK -0.2671 13 N1 -2.4118 -2.1164 -0.4082 N.am 1 UNK -0.3088 14 N2 3.6010 -2.1654 -0.9874 N.am 1 UNK -0.3091 15 C 0.7222 3.1040 -0.6803 C.3 1 UNK 0.0480 16 C1 0.7408 0.9741 0.5981 C.ar 1 UNK 0.0641 17 C2 -0.6893 3.4870 -1.1212 C.3 1 UNK 0.0943 18 C3 -0.4644 0.2794 0.7013 C.ar 1 UNK 0.0489 19 C4 -0.4698 -1.1152 0.6772 C.ar 1 UNK 0.0654 20 C5 1.9406 0.2741 0.4707 C.ar 1 UNK 0.0489 21 C6 1.9352 -1.1205 0.4464 C.ar 1 UNK 0.0654 22 C7 0.7300 -1.8151 0.5498 C.ar 1 UNK 0.0397 23 C8 -0.7219 4.2119 -2.4629 C.3 1 UNK 0.0716 24 C9 0.8639 3.1352 1.8333 C.2 1 UNK 0.2168 25 C10 -3.6757 -2.8011 -0.4642 C.3 1 UNK 0.0401 26 C11 -1.7534 -1.8549 0.7870 C.2 1 UNK 0.2462 27 C12 -4.8698 -1.8516 -0.3867 C.3 1 UNK 0.0936 28 C13 3.1944 -1.8546 0.3109 C.2 1 UNK 0.2462 29 C14 0.8478 2.3834 3.1445 C.3 1 UNK 0.0127 30 C15 -6.2128 -2.5737 -0.4238 C.3 1 UNK 0.0716 31 C16 4.8066 -2.9053 -1.2835 C.3 1 UNK 0.0351 32 C17 5.9985 -1.9822 -1.4596 C.3 1 UNK 0.0597 33 H -1.2711 3.8835 0.7248 H 1 UNK 0.2099 34 H1 -2.1075 4.9618 -3.6497 H 1 UNK 0.2095 35 H2 -3.9700 -0.4640 -1.4677 H 1 UNK 0.2099 36 H3 -8.1155 -2.0601 -0.3419 H 1 UNK 0.2095 37 H4 6.5219 -0.5175 -2.6687 H 1 UNK 0.2095 38 H5 -1.9967 -1.8212 -1.2507 H 1 UNK 0.1491 39 H6 3.0391 -1.8660 -1.7383 H 1 UNK 0.1491 40 H7 1.1555 2.4757 -1.4302 H 1 UNK 0.0495 41 H8 1.2757 4.0107 -0.5521 H 1 UNK 0.0495 42 H9 -1.2338 2.5727 -1.2325 H 1 UNK 0.0632 43 H10 -0.1670 5.1241 -2.3922 H 1 UNK 0.0583 44 H11 -0.2846 3.5948 -3.2198 H 1 UNK 0.0583 45 H12 -3.7299 -3.4856 0.3564 H 1 UNK 0.0488 46 H13 -3.7266 -3.3049 -1.4068 H 1 UNK 0.0488 47 H14 -4.7984 -1.3463 0.5538 H 1 UNK 0.0632 48 H15 0.9435 3.0764 3.9542 H 1 UNK 0.0323 49 H16 1.6636 1.6914 3.1689 H 1 UNK 0.0323 50 H17 -0.0751 1.8502 3.2386 H 1 UNK 0.0323 51 H18 -6.3081 -3.1081 -1.3459 H 1 UNK 0.0583 52 H19 -6.2752 -3.2662 0.3895 H 1 UNK 0.0583 53 H20 4.6606 -3.4603 -2.1866 H 1 UNK 0.0485 54 H21 5.0084 -3.5600 -0.4615 H 1 UNK 0.0485 55 H22 6.1396 -1.4073 -0.5683 H 1 UNK 0.0573 56 H23 6.8760 -2.5639 -1.6504 H 1 UNK 0.0573 @BOND 1 1 18 1 2 2 20 1 3 3 22 1 4 4 17 1 5 5 23 1 6 6 27 1 7 7 24 2 8 8 26 2 9 9 28 2 10 10 30 1 11 11 32 1 12 12 15 1 13 12 16 1 14 12 24 am 15 13 25 1 16 13 26 am 17 14 28 am 18 14 31 1 19 15 17 1 20 16 18 ar 21 16 20 ar 22 17 23 1 23 18 19 ar 24 19 22 ar 25 19 26 1 26 20 21 ar 27 21 22 ar 28 21 28 1 29 24 29 1 30 25 27 1 31 27 30 1 32 31 32 1 33 4 33 1 34 5 34 1 35 6 35 1 36 10 36 1 37 11 37 1 38 13 38 1 39 14 39 1 40 15 40 1 41 15 41 1 42 17 42 1 43 23 43 1 44 23 44 1 45 25 45 1 46 25 46 1 47 27 47 1 48 29 48 1 49 29 49 1 50 29 50 1 51 30 51 1 52 30 52 1 53 31 53 1 54 31 54 1 55 32 55 1 56 32 56 1