REMARK Name = BDB004288 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.201 -1.538 0.752 0.00 0.00 +0.004 C ATOM 2 C LIG 1 -0.141 -0.891 1.166 0.00 0.00 +0.011 C ATOM 3 C LIG 1 -0.855 -1.605 -0.017 0.00 0.00 -0.026 C ATOM 4 C LIG 1 -1.201 -0.715 -1.219 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -2.438 0.132 -0.917 0.00 0.00 +0.105 C ATOM 6 N LIG 1 -3.558 -0.746 -0.530 0.00 0.00 -0.330 N ATOM 7 C LIG 1 -3.279 -1.580 0.649 0.00 0.00 +0.105 C ATOM 8 C LIG 1 -2.063 -2.466 0.374 0.00 0.00 +0.026 C ATOM 9 C LIG 1 0.430 -2.448 -0.230 0.00 0.00 +0.011 C ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.816 -0.121 -0.603 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -5.281 0.349 -1.841 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -6.535 0.957 -1.979 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -7.377 1.117 -0.873 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -6.929 0.642 0.366 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -5.672 0.034 0.495 0.00 0.00 +0.023 A BRANCH 13 16 ATOM 16 C LIG 1 -8.757 1.742 -1.054 0.00 0.00 +0.063 C ATOM 17 C LIG 1 -9.870 0.691 -1.308 0.00 0.00 +0.068 C ATOM 18 C LIG 1 -11.218 1.421 -1.367 0.00 0.00 +0.238 C ATOM 19 O LIG 1 -11.535 2.185 -0.201 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 -10.522 2.958 0.296 0.00 0.00 +0.128 A ATOM 21 C LIG 1 -10.920 3.935 1.212 0.00 0.00 +0.091 A ATOM 22 C LIG 1 -9.972 4.789 1.762 0.00 0.00 +0.120 A ATOM 23 C LIG 1 -8.635 4.680 1.411 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -8.238 3.694 0.505 0.00 0.00 +0.011 A ATOM 25 C LIG 1 -9.172 2.795 -0.041 0.00 0.00 +0.003 A BRANCH 17 26 ATOM 26 C LIG 1 -9.883 -0.538 -0.398 0.00 0.00 -0.040 A ATOM 27 C LIG 1 -10.427 -0.537 0.894 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -10.401 -1.689 1.686 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -9.825 -2.860 1.203 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -9.272 -2.881 -0.073 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -9.301 -1.732 -0.866 0.00 0.00 +0.004 A ENDBRANCH 17 26 BRANCH 22 32 ATOM 32 O LIG 1 -10.321 5.763 2.650 0.00 0.00 -0.507 OA ATOM 33 H LIG 1 -11.284 5.734 2.776 0.00 0.00 +0.292 HD ENDBRANCH 22 32 ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 1 34 ATOM 34 C LIG 1 2.238 -0.577 0.158 0.00 0.00 +0.088 C BRANCH 34 44 ATOM 35 C LIG 1 10.483 -0.874 0.404 0.00 0.00 +0.031 A ATOM 36 C LIG 1 9.737 -2.045 0.590 0.00 0.00 +0.070 A ATOM 37 C LIG 1 8.340 -2.051 0.492 0.00 0.00 +0.143 A ATOM 38 O LIG 1 7.744 -3.277 0.709 0.00 0.00 -0.488 OA ATOM 39 C LIG 1 6.359 -3.140 1.052 0.00 0.00 +0.252 C ATOM 40 C LIG 1 5.623 -2.258 0.041 0.00 0.00 +0.125 C ATOM 41 N LIG 1 6.235 -0.916 0.032 0.00 0.00 -0.318 N ATOM 42 C LIG 1 5.455 0.163 -0.583 0.00 0.00 +0.121 C ATOM 43 C LIG 1 4.191 -0.377 -1.297 0.00 0.00 +0.103 C ATOM 44 N LIG 1 3.329 -1.295 -0.518 0.00 0.00 -0.299 NA ATOM 45 C LIG 1 4.128 -2.121 0.421 0.00 0.00 +0.110 C ATOM 46 C LIG 1 7.616 -0.885 0.175 0.00 0.00 +0.072 A ATOM 47 C LIG 1 8.361 0.290 0.052 0.00 0.00 +0.028 A ATOM 48 C LIG 1 9.763 0.297 0.171 0.00 0.00 +0.025 A BRANCH 35 49 ATOM 49 N LIG 1 11.863 -0.952 0.585 0.00 0.00 -0.333 N ATOM 50 H LIG 1 12.198 -1.845 0.220 0.00 0.00 +0.147 HD BRANCH 49 57 ATOM 51 O LIG 1 13.811 4.029 -0.650 0.00 0.00 -0.275 OA ATOM 52 C LIG 1 13.475 2.891 -0.334 0.00 0.00 +0.219 C ATOM 53 N LIG 1 12.884 2.053 -1.244 0.00 0.00 -0.255 N ATOM 54 H LIG 1 12.809 2.417 -2.184 0.00 0.00 +0.158 HD ATOM 55 C LIG 1 12.707 0.694 -1.122 0.00 0.00 +0.239 C ATOM 56 O LIG 1 12.537 -0.000 -2.122 0.00 0.00 -0.273 OA ATOM 57 C LIG 1 12.826 0.123 0.298 0.00 0.00 +0.158 C ATOM 58 C LIG 1 12.805 1.199 1.383 0.00 0.00 +0.041 C ATOM 59 C LIG 1 13.779 2.309 1.026 0.00 0.00 +0.098 C ENDBRANCH 49 57 ENDBRANCH 35 49 ENDBRANCH 34 44 ENDBRANCH 1 34 TORSDOF 8