@MOLECULE FDBD01968 44 45 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.3792 2.0542 -0.5340 C.3 1 UNK -0.0425 2 C1 0.0632 0.5902 -0.4900 C.3 1 UNK 0.0688 3 C2 1.1510 0.4179 0.5720 C.3 1 UNK -0.0425 4 N -1.0843 -0.2569 -0.1554 N.am 1 UNK -0.0787 5 C3 -1.4852 -1.2429 -1.0466 C.cat 1 UNK 0.4006 6 N1 -1.2333 -1.1513 -2.3218 N.2 1 UNK -0.0700 7 C4 -1.5572 -2.2669 -3.2144 C.3 1 UNK 0.1000 8 C5 -3.0680 -2.5083 -3.2016 C.3 1 UNK -0.0363 9 C6 -1.1068 -1.9291 -4.6371 C.3 1 UNK -0.0363 10 C7 -0.8352 -3.5284 -2.7369 C.3 1 UNK -0.0363 11 S -2.3540 -2.6317 -0.3722 S.3 1 UNK 0.1474 12 C8 -3.5319 -1.7155 0.6625 C.3 1 UNK 0.1165 13 N2 -2.8004 -0.7132 1.4361 N.am 1 UNK -0.2387 14 C9 -3.2651 -0.4155 2.7220 C.ar 1 UNK 0.0389 15 C10 -4.4585 0.2749 2.8880 C.ar 1 UNK -0.0402 16 C11 -4.9147 0.5669 4.1586 C.ar 1 UNK -0.0600 17 C12 -4.1844 0.1725 5.2646 C.ar 1 UNK -0.0616 18 C13 -2.9954 -0.5147 5.1026 C.ar 1 UNK -0.0600 19 C14 -2.5367 -0.8148 3.8348 C.ar 1 UNK -0.0402 20 C15 -1.7212 -0.0691 1.0034 C.2 1 UNK 0.3499 21 O -1.2713 0.7895 1.7371 O.2 1 UNK -0.2482 22 H 0.4589 2.6729 -0.7784 H 1 UNK 0.0249 23 H1 -0.7658 2.3389 0.4222 H 1 UNK 0.0249 24 H2 -1.1400 2.1747 -1.2766 H 1 UNK 0.0249 25 H3 0.4499 0.3056 -1.4462 H 1 UNK 0.0539 26 H4 0.7642 0.7025 1.5282 H 1 UNK 0.0249 27 H5 1.9891 1.0366 0.3277 H 1 UNK 0.0249 28 H6 1.4604 -0.6059 0.6028 H 1 UNK 0.0249 29 H7 -3.5730 -1.6261 -3.5355 H 1 UNK 0.0254 30 H8 -3.3830 -2.7446 -2.2067 H 1 UNK 0.0254 31 H9 -3.3045 -3.3231 -3.8536 H 1 UNK 0.0254 32 H10 -1.6118 -1.0468 -4.9711 H 1 UNK 0.0254 33 H11 -1.3434 -2.7439 -5.2891 H 1 UNK 0.0254 34 H12 -0.0502 -1.7604 -4.6461 H 1 UNK 0.0254 35 H13 -1.1502 -3.7646 -1.7420 H 1 UNK 0.0254 36 H14 0.2214 -3.3597 -2.7459 H 1 UNK 0.0254 37 H15 -1.0718 -4.3432 -3.3889 H 1 UNK 0.0254 38 H16 -4.0276 -2.3914 1.3275 H 1 UNK 0.0627 39 H17 -4.2617 -1.2357 0.0443 H 1 UNK 0.0627 40 H18 -5.0039 0.5695 2.0629 H 1 UNK 0.0636 41 H19 -5.8015 1.0799 4.2826 H 1 UNK 0.0618 42 H20 -4.5275 0.3915 6.2130 H 1 UNK 0.0618 43 H21 -2.4502 -0.8036 5.9298 H 1 UNK 0.0618 44 H22 -1.6536 -1.3352 3.7147 H 1 UNK 0.0636 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 20 am 5 4 5 1 6 5 6 2 7 5 11 1 8 6 7 1 9 7 8 1 10 7 9 1 11 7 10 1 12 11 12 1 13 12 13 1 14 13 14 1 15 13 20 am 16 14 19 ar 17 14 15 ar 18 15 16 ar 19 16 17 ar 20 17 18 ar 21 18 19 ar 22 20 21 2 23 1 22 1 24 1 23 1 25 1 24 1 26 2 25 1 27 3 26 1 28 3 27 1 29 3 28 1 30 8 29 1 31 8 30 1 32 8 31 1 33 9 32 1 34 9 33 1 35 9 34 1 36 10 35 1 37 10 36 1 38 10 37 1 39 12 38 1 40 12 39 1 41 15 40 1 42 16 41 1 43 17 42 1 44 18 43 1 45 19 44 1