@MOLECULE FDBD03165 61 61 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0653 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK -0.0559 3 C2 0.7421 -0.5109 1.2415 C.3 1 UNK -0.0533 4 C3 0.7628 -2.0407 1.2331 C.3 1 UNK -0.0531 5 C4 1.5028 -2.5476 2.4727 C.3 1 UNK -0.0531 6 C5 1.5236 -4.0774 2.4642 C.3 1 UNK -0.0531 7 C6 2.2636 -4.5842 3.7038 C.3 1 UNK -0.0531 8 C7 2.2843 -6.1141 3.6954 C.3 1 UNK -0.0531 9 C8 3.0243 -6.6209 4.9349 C.3 1 UNK -0.0531 10 C9 3.0450 -8.1508 4.9265 C.3 1 UNK -0.0529 11 C10 3.7850 -8.6576 6.1660 C.3 1 UNK -0.0483 12 C11 3.8058 -10.1874 6.1576 C.3 1 UNK -0.0125 13 C12 4.5458 -10.6943 7.3971 C.3 1 UNK -0.0317 14 N 4.5657 -12.1631 7.3890 N.4 1 UNK 0.2389 15 C13 5.3760 -12.6729 6.2733 C.3 1 UNK -0.0052 16 C14 5.3208 -14.2029 6.2669 C.3 1 UNK 0.0961 17 C15 6.2261 -14.7421 5.1576 C.3 1 UNK -0.0337 18 O 5.7699 -14.6963 7.5319 O.3 1 UNK -0.3634 19 C16 5.0026 -14.2202 8.6409 C.3 1 UNK 0.0961 20 C17 5.5848 -14.7771 9.9416 C.3 1 UNK -0.0337 21 C18 5.0545 -12.6904 8.6713 C.3 1 UNK -0.0052 22 H -0.5362 1.8802 -0.8565 H 1 UNK 0.0230 23 H1 0.9851 1.8962 0.0028 H 1 UNK 0.0230 24 H2 -0.5195 1.8709 0.8907 H 1 UNK 0.0230 25 H3 0.5029 -0.3492 -0.8783 H 1 UNK 0.0263 26 H4 -1.0017 -0.3745 0.0096 H 1 UNK 0.0263 27 H5 0.2413 -0.1658 2.1218 H 1 UNK 0.0265 28 H6 1.7459 -0.1406 1.2339 H 1 UNK 0.0265 29 H7 1.2636 -2.3858 0.3528 H 1 UNK 0.0265 30 H8 -0.2410 -2.4110 1.2407 H 1 UNK 0.0265 31 H9 1.0019 -2.2026 3.3530 H 1 UNK 0.0265 32 H10 2.5066 -2.1772 2.4652 H 1 UNK 0.0265 33 H11 2.0245 -4.4224 1.5839 H 1 UNK 0.0265 34 H12 0.5198 -4.4478 2.4717 H 1 UNK 0.0265 35 H13 1.7628 -4.2391 4.5841 H 1 UNK 0.0265 36 H14 3.2674 -4.2138 3.6962 H 1 UNK 0.0265 37 H15 2.7851 -6.4592 2.8151 H 1 UNK 0.0265 38 H16 1.2805 -6.4844 3.7030 H 1 UNK 0.0265 39 H17 2.5235 -6.2758 5.8152 H 1 UNK 0.0265 40 H18 4.0281 -6.2506 4.9273 H 1 UNK 0.0265 41 H19 3.5458 -8.4959 4.0462 H 1 UNK 0.0265 42 H20 2.0412 -8.5211 4.9341 H 1 UNK 0.0265 43 H21 3.2842 -8.3125 7.0463 H 1 UNK 0.0267 44 H22 4.7888 -8.2872 6.1584 H 1 UNK 0.0267 45 H23 4.3066 -10.5324 5.2773 H 1 UNK 0.0317 46 H24 2.8020 -10.5578 6.1652 H 1 UNK 0.0317 47 H25 4.0450 -10.3492 8.2775 H 1 UNK 0.0814 48 H26 5.5496 -10.3240 7.3895 H 1 UNK 0.0814 49 H27 3.6075 -12.4873 7.2581 H 1 UNK 0.2035 50 H28 6.3899 -12.3521 6.3919 H 1 UNK 0.0840 51 H29 4.9911 -12.2961 5.3488 H 1 UNK 0.0840 52 H30 4.3156 -14.5252 6.0922 H 1 UNK 0.0647 53 H31 7.2320 -14.4209 5.3305 H 1 UNK 0.0256 54 H32 5.8908 -14.3711 4.2117 H 1 UNK 0.0256 55 H33 6.1886 -15.8114 5.1549 H 1 UNK 0.0256 56 H34 3.9874 -14.5430 8.5400 H 1 UNK 0.0647 57 H35 6.6001 -14.4554 10.0444 H 1 UNK 0.0256 58 H36 5.5500 -15.8463 9.9190 H 1 UNK 0.0256 59 H37 5.0115 -14.4191 10.7711 H 1 UNK 0.0256 60 H38 4.4368 -12.3274 9.4660 H 1 UNK 0.0840 61 H39 6.0624 -12.3686 8.8308 H 1 UNK 0.0840 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 14 21 1 15 14 15 1 16 15 16 1 17 16 17 1 18 16 18 1 19 18 19 1 20 19 20 1 21 19 21 1 22 1 22 1 23 1 23 1 24 1 24 1 25 2 25 1 26 2 26 1 27 3 27 1 28 3 28 1 29 4 29 1 30 4 30 1 31 5 31 1 32 5 32 1 33 6 33 1 34 6 34 1 35 7 35 1 36 7 36 1 37 8 37 1 38 8 38 1 39 9 39 1 40 9 40 1 41 10 41 1 42 10 42 1 43 11 43 1 44 11 44 1 45 12 45 1 46 12 46 1 47 13 47 1 48 13 48 1 49 14 49 1 50 15 50 1 51 15 51 1 52 16 52 1 53 17 53 1 54 17 54 1 55 17 55 1 56 19 56 1 57 20 57 1 58 20 58 1 59 20 59 1 60 21 60 1 61 21 61 1