@MOLECULE n-(9h-fluoren-9-ylacetyl)tryptophan 53 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0293 -2.0736 2.0852 O.2 1 UNL1111111111 -0.5174 2 O 3.0614 -3.6834 -0.2889 O.3 1 UNL1111111111 -0.5459 3 OXT 4.9491 -2.6488 0.2592 O.2 1 UNL1111111111 -0.5148 4 N 1.4917 -1.6219 -0.0840 N.am 1 UNL1111111111 -0.6025 5 NE1 3.0709 3.1756 0.1942 N.ar 1 UNL1111111111 -0.3736 6 C -1.3904 -0.9779 -0.1260 C.3 1 UNL1111111111 -0.1124 7 C -1.5680 0.1435 0.8805 C.ar 1 UNL1111111111 -0.0184 8 C -2.8057 -1.2144 -0.6106 C.ar 1 UNL1111111111 -0.0232 9 C -0.7931 -2.2407 0.5031 C.3 1 UNL1111111111 -0.3559 10 C -2.9339 0.5103 0.9633 C.ar 1 UNL1111111111 -0.0339 11 C -3.6988 -0.3269 0.0421 C.ar 1 UNL1111111111 -0.0199 12 C 0.6377 -2.0002 0.9425 C.2 0 ACE0 0.6081 13 C -0.6124 0.7949 1.6339 C.ar 1 UNL1 -0.1413 14 C -3.2640 -2.1173 -1.5481 C.ar 1 UNL1 -0.1623 15 CA 2.8934 -1.3274 0.1532 C.3 1 UNL1 0.0573 16 C -3.3430 1.5194 1.8173 C.ar 1 UNL1 -0.1436 17 C -5.0527 -0.3581 -0.2386 C.ar 1 UNL1 -0.1451 18 CB 3.4146 -0.3362 -0.9203 C.3 1 UNL1 -0.2750 19 CG 3.0158 1.0527 -0.6186 C.ar 1 UNL1 -0.1149 20 C -1.0304 1.8110 2.5025 C.ar 1 UNL1 -0.1359 21 C -4.6366 -2.1466 -1.8290 C.ar 1 UNL1 -0.1471 22 C -2.3735 2.1660 2.5926 C.ar 1 UNL1 -0.1475 23 C -5.5158 -1.2819 -1.1841 C.ar 1 UNL1 -0.1504 24 CD2 1.8208 1.7258 -1.0508 C.ar 1 UNL1 -0.0645 25 CE2 1.8788 3.0546 -0.5203 C.ar 1 UNL1 0.0986 26 CD1 3.7527 1.9591 0.1310 C.ar 1 UNL1 -0.0325 27 C 3.7626 -2.5831 0.0750 C.2 1 UNL1 0.5926 28 CE3 0.7174 1.3580 -1.8273 C.ar 1 UNL1 -0.1183 29 CZ2 0.8607 3.9951 -0.7378 C.ar 1 UNL1 -0.2114 30 CZ3 -0.2920 2.2805 -2.0320 C.ar 1 UNL1 -0.1819 31 CH2 -0.2212 3.5846 -1.4924 C.ar 1 UNL1 -0.1067 32 H -0.7603 -0.6152 -0.9762 H 1 UNL1 0.1664 33 H -0.8464 -3.0945 -0.2013 H 1 UNL1 0.1699 34 H -1.3995 -2.5497 1.3840 H 1 UNL1 0.1922 35 H 0.4426 0.5332 1.5643 H 1 UNL1 0.1704 36 H -2.5867 -2.7940 -2.0608 H 1 UNL1 0.1519 37 HA 3.0234 -0.8946 1.1911 H 1 UNL1 0.2020 38 H -4.3890 1.8029 1.8877 H 1 UNL1 0.1514 39 H -5.7441 0.3144 0.2632 H 1 UNL1 0.1557 40 HB1 3.0537 -0.6398 -1.9268 H 1 UNL1 0.1579 41 HB2 4.5262 -0.4065 -0.9832 H 1 UNL1 0.1748 42 H 1.1984 -1.6607 -1.0481 H 1 UNL1 0.3129 43 H -0.2905 2.3272 3.1116 H 1 UNL1 0.1489 44 H -5.0169 -2.8553 -2.5604 H 1 UNL1 0.1462 45 H -2.6770 2.9576 3.2752 H 1 UNL1 0.1475 46 H -6.5784 -1.3202 -1.4156 H 1 UNL1 0.1496 47 HD1 4.7009 1.8309 0.6216 H 1 UNL1 0.1695 48 HE1 3.3784 3.9938 0.6611 H 1 UNL1 0.3113 49 HE3 0.6748 0.3654 -2.2661 H 1 UNL1 0.1438 50 HZ2 0.9279 4.9975 -0.3305 H 1 UNL1 0.1562 51 HZ3 -1.1674 2.0089 -2.6199 H 1 UNL1 0.1552 52 HH2 -1.0460 4.2712 -1.6805 H 1 UNL1 0.1521 53 H 3.6019 -4.5138 -0.2722 H 1 UNL1 0.3535 @BOND 1 1 12 2 2 2 27 1 3 2 53 1 4 3 27 2 5 4 12 am 6 4 15 1 7 4 42 1 8 5 25 ar 9 5 26 ar 10 5 48 1 11 6 7 1 12 6 8 1 13 6 9 1 14 6 32 1 15 7 10 ar 16 7 13 ar 17 8 11 ar 18 8 14 ar 19 9 12 1 20 9 33 1 21 9 34 1 22 10 11 1 23 10 16 ar 24 11 17 ar 25 13 20 ar 26 13 35 1 27 14 21 ar 28 14 36 1 29 15 18 1 30 15 27 1 31 15 37 1 32 16 22 ar 33 16 38 1 34 17 23 ar 35 17 39 1 36 18 19 1 37 18 40 1 38 18 41 1 39 19 24 ar 40 19 26 ar 41 20 22 ar 42 20 43 1 43 21 23 ar 44 21 44 1 45 22 45 1 46 23 46 1 47 24 25 ar 48 24 28 ar 49 25 29 ar 50 26 47 1 51 28 30 ar 52 28 49 1 53 29 31 ar 54 29 50 1 55 30 31 ar 56 30 51 1 57 31 52 1