REMARK Name = BDB031713 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.922 1.877 -2.303 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.723 0.508 -2.564 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.575 -0.112 -2.059 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.598 0.562 -1.340 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.385 -0.430 -1.024 0.00 0.00 +0.153 A ATOM 6 N LIG 1 0.011 -1.630 -1.475 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.769 1.940 -1.110 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -1.139 -1.405 -2.121 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -1.592 -2.191 -2.574 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.926 2.571 -1.596 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.793 -0.483 0.468 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -5.236 0.606 -0.213 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.873 1.087 -1.350 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.556 2.193 -2.318 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.168 2.579 -2.794 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.705 2.163 -3.299 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.545 1.135 -2.910 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -8.394 0.908 -3.404 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.841 2.916 -4.249 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.951 3.492 -1.868 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -7.074 0.490 -1.765 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.662 -0.567 -1.106 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -7.003 -1.053 0.025 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -3.928 -0.716 1.922 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -5.261 -1.079 1.581 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 1.496 -0.137 -0.302 0.00 0.00 -0.282 N ATOM 27 H LIG 1 1.653 0.834 -0.072 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 2.720 -0.846 -0.272 0.00 0.00 +0.129 A ATOM 29 N LIG 1 3.039 -1.727 -1.229 0.00 0.00 -0.220 NA ATOM 30 C LIG 1 4.202 -2.371 -1.094 0.00 0.00 +0.225 A ATOM 31 N LIG 1 5.092 -2.205 -0.107 0.00 0.00 -0.221 NA ATOM 32 C LIG 1 4.771 -1.313 0.842 0.00 0.00 +0.126 A ATOM 33 C LIG 1 3.576 -0.612 0.792 0.00 0.00 +0.087 A BRANCH 32 34 ATOM 34 N LIG 1 5.653 -1.070 1.933 0.00 0.00 -0.313 N ATOM 35 C LIG 1 6.367 0.206 1.697 0.00 0.00 +0.134 C ATOM 36 C LIG 1 7.250 0.610 2.886 0.00 0.00 +0.178 C ATOM 37 O LIG 1 8.437 -0.180 2.917 0.00 0.00 -0.378 OA ATOM 38 C LIG 1 8.354 -1.338 3.737 0.00 0.00 +0.161 C ATOM 39 C LIG 1 7.089 -2.179 3.593 0.00 0.00 +0.047 C ATOM 40 C LIG 1 6.535 -2.231 2.172 0.00 0.00 +0.109 C ENDBRANCH 32 34 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5