@MOLECULE n-(9h-fluoren-9-ylacetyl)tryptophan 53 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2026 2.1695 1.6292 O.2 1 UNL1111111111 -0.5218 2 O 1.9694 4.1946 -0.6255 O.3 1 UNL1111111111 -0.5420 3 OXT 3.9565 3.9776 0.3394 O.2 1 UNL1111111111 -0.5153 4 N 1.2128 1.7020 -0.3435 N.am 1 UNL1111111111 -0.6005 5 NE1 4.2880 -2.1119 0.9012 N.ar 1 UNL1111111111 -0.3733 6 C -2.2308 0.8999 0.6963 C.3 1 UNL1111111111 -0.1068 7 C -3.6219 0.9913 0.1005 C.ar 1 UNL1111111111 -0.0217 8 C -2.0380 -0.5965 0.8442 C.ar 1 UNL1111111111 -0.0153 9 C -1.2042 1.5320 -0.2445 C.3 1 UNL1111111111 -0.3557 10 C -4.1742 -0.3045 -0.0600 C.ar 1 UNL1111111111 -0.0290 11 C -3.1966 -1.2852 0.4039 C.ar 1 UNL1111111111 -0.0377 12 C 0.0959 1.8418 0.4687 C.2 0 ACE0 0.6101 13 C -4.3342 2.1125 -0.2729 C.ar 1 UNL1 -0.1640 14 C -0.9493 -1.2894 1.3324 C.ar 1 UNL1 -0.1533 15 CA 2.5544 1.9845 0.1330 C.3 1 UNL1 0.0546 16 C -5.4465 -0.4688 -0.5770 C.ar 1 UNL1 -0.1443 17 C -3.2641 -2.6659 0.4617 C.ar 1 UNL1 -0.1431 18 CB 3.5916 1.1645 -0.6781 C.3 1 UNL1 -0.2754 19 CG 3.6492 -0.2401 -0.2266 C.ar 1 UNL1 -0.1123 20 C -5.6215 1.9414 -0.7993 C.ar 1 UNL1 -0.1423 21 C -1.0190 -2.6881 1.3855 C.ar 1 UNL1 -0.1310 22 C -6.1706 0.6714 -0.9461 C.ar 1 UNL1 -0.1529 23 C -2.1572 -3.3653 0.9584 C.ar 1 UNL1 -0.1529 24 CD2 2.8756 -1.3454 -0.7235 C.ar 1 UNL1 -0.0647 25 CE2 3.2960 -2.5058 0.0046 C.ar 1 UNL1 0.0989 26 CD1 4.4954 -0.7394 0.7529 C.ar 1 UNL1 -0.0339 27 C 2.9272 3.4621 -0.0101 C.2 1 UNL1 0.5913 28 CE3 1.8829 -1.4845 -1.6996 C.ar 1 UNL1 -0.1095 29 CZ2 2.7420 -3.7733 -0.2198 C.ar 1 UNL1 -0.2166 30 CZ3 1.3346 -2.7342 -1.9187 C.ar 1 UNL1 -0.1865 31 CH2 1.7604 -3.8652 -1.1870 C.ar 1 UNL1 -0.1105 32 H -2.1972 1.3974 1.7004 H 1 UNL1 0.1944 33 H -1.6125 2.4739 -0.6740 H 1 UNL1 0.1795 34 H -1.0470 0.8566 -1.1120 H 1 UNL1 0.1707 35 H -3.9186 3.1097 -0.1529 H 1 UNL1 0.1568 36 H -0.0552 -0.7676 1.6695 H 1 UNL1 0.1678 37 HA 2.6294 1.7293 1.2337 H 1 UNL1 0.2023 38 H -5.8808 -1.4579 -0.6891 H 1 UNL1 0.1543 39 H -4.1525 -3.1944 0.1334 H 1 UNL1 0.1509 40 HB1 3.3573 1.2203 -1.7631 H 1 UNL1 0.1585 41 HB2 4.5956 1.6415 -0.5836 H 1 UNL1 0.1759 42 H 1.1218 1.5073 -1.3293 H 1 UNL1 0.3127 43 H -6.1983 2.8168 -1.0930 H 1 UNL1 0.1472 44 H -0.1664 -3.2480 1.7666 H 1 UNL1 0.1492 45 H -7.1742 0.5578 -1.3521 H 1 UNL1 0.1494 46 H -2.1921 -4.4509 1.0113 H 1 UNL1 0.1465 47 HD1 5.2240 -0.2235 1.3514 H 1 UNL1 0.1700 48 HE1 4.7634 -2.7070 1.5359 H 1 UNL1 0.3123 49 HE3 1.5589 -0.6216 -2.2737 H 1 UNL1 0.1450 50 HZ2 3.0723 -4.6387 0.3428 H 1 UNL1 0.1564 51 HZ3 0.5520 -2.8624 -2.6640 H 1 UNL1 0.1545 52 HH2 1.2925 -4.8260 -1.3962 H 1 UNL1 0.1504 53 H 2.1864 5.1627 -0.6486 H 1 UNL1 0.3530 @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