REMARK Name = BDB055683 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.791 -1.096 0.181 0.00 0.00 +0.120 C ATOM 2 C LIG 1 -0.651 -1.016 -0.252 0.00 0.00 -0.021 A ATOM 3 C LIG 1 -1.206 -2.298 -0.328 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -2.517 -2.487 -0.733 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -3.300 -1.367 -1.064 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -2.715 -0.082 -1.024 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -0.195 -3.351 0.009 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.387 0.098 -0.626 0.00 0.00 +0.006 A ATOM 9 C LIG 1 0.900 -2.538 0.714 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 0.535 0.370 2.281 0.00 0.00 +0.111 A ATOM 11 N LIG 1 1.203 -0.085 1.143 0.00 0.00 -0.316 N ATOM 12 C LIG 1 2.393 0.609 1.081 0.00 0.00 +0.135 A ATOM 13 C LIG 1 2.320 1.501 2.114 0.00 0.00 +0.096 A ATOM 14 C LIG 1 3.365 2.420 2.341 0.00 0.00 +0.048 A ATOM 15 C LIG 1 4.437 2.393 1.530 0.00 0.00 +0.091 A ATOM 16 N LIG 1 4.543 1.472 0.479 0.00 0.00 -0.309 N ATOM 17 C LIG 1 3.529 0.525 0.193 0.00 0.00 +0.277 A ATOM 18 O LIG 1 3.613 -0.297 -0.715 0.00 0.00 -0.265 OA ATOM 19 N LIG 1 1.194 1.373 2.845 0.00 0.00 -0.232 NA BRANCH 10 21 ATOM 20 C LIG 1 -0.860 -0.078 4.316 0.00 0.00 +0.012 C ATOM 21 C LIG 1 -0.766 -0.167 2.799 0.00 0.00 +0.071 C ENDBRANCH 10 21 BRANCH 16 22 ATOM 22 C LIG 1 5.729 1.496 -0.373 0.00 0.00 +0.160 C BRANCH 22 23 ATOM 23 C LIG 1 5.622 2.522 -1.479 0.00 0.00 -0.025 A ATOM 24 C LIG 1 6.217 3.784 -1.346 0.00 0.00 +0.043 A ATOM 25 C LIG 1 6.095 4.721 -2.367 0.00 0.00 +0.124 A ATOM 26 F LIG 1 6.670 5.923 -2.228 0.00 0.00 -0.205 F ATOM 27 C LIG 1 5.385 4.432 -3.526 0.00 0.00 +0.038 A ATOM 28 C LIG 1 4.785 3.183 -3.669 0.00 0.00 +0.003 A ATOM 29 C LIG 1 4.902 2.234 -2.650 0.00 0.00 +0.005 A ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 1 11 BRANCH 5 30 ATOM 30 C LIG 1 -4.716 -1.530 -1.431 0.00 0.00 -0.007 A ATOM 31 C LIG 1 -5.719 -1.903 -0.501 0.00 0.00 +0.028 A ATOM 32 C LIG 1 -7.037 -2.091 -0.963 0.00 0.00 +0.012 A ATOM 33 C LIG 1 -7.372 -1.893 -2.303 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -6.394 -1.510 -3.211 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.079 -1.333 -2.779 0.00 0.00 +0.009 A BRANCH 31 36 ATOM 36 C LIG 1 -5.476 -2.111 0.930 0.00 0.00 +0.180 A ATOM 37 N LIG 1 -4.533 -1.469 1.688 0.00 0.00 -0.239 N ATOM 38 H LIG 1 -3.852 -0.772 1.420 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -4.586 -1.884 2.960 0.00 0.00 -0.046 NA ATOM 40 N LIG 1 -5.577 -2.761 2.991 0.00 0.00 -0.023 NA ATOM 41 N LIG 1 -6.144 -2.905 1.748 0.00 0.00 -0.108 NA ENDBRANCH 31 36 ENDBRANCH 5 30 TORSDOF 6