REMARK Name = BDB008163 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.193 -0.521 -1.094 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.279 -0.719 -0.919 0.00 0.00 +0.237 C ATOM 3 N LIG 1 -1.048 -0.576 -0.328 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -0.950 -0.691 0.679 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -2.409 -0.739 -2.146 0.00 0.00 -0.273 OA BRANCH 2 6 ATOM 6 C LIG 1 -3.504 -0.851 0.039 0.00 0.00 +0.105 C ATOM 7 C LIG 1 -3.345 -2.118 0.888 0.00 0.00 +0.041 C ATOM 8 C LIG 1 -3.598 0.402 0.918 0.00 0.00 +0.041 C BRANCH 6 11 ATOM 9 C LIG 1 -6.959 -1.174 -1.595 0.00 0.00 +0.109 C ATOM 10 C LIG 1 -5.972 -1.100 -0.461 0.00 0.00 +0.211 C ATOM 11 N LIG 1 -4.669 -0.957 -0.859 0.00 0.00 -0.302 N ATOM 12 H LIG 1 -4.451 -0.914 -1.852 0.00 0.00 +0.150 HD ATOM 13 O LIG 1 -6.332 -1.163 0.709 0.00 0.00 -0.276 OA ENDBRANCH 6 11 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 14 ATOM 14 C LIG 1 1.351 -0.907 -0.151 0.00 0.00 +0.234 C ATOM 15 N LIG 1 2.584 -1.047 -0.748 0.00 0.00 -0.302 N ATOM 16 H LIG 1 2.731 -0.624 -1.657 0.00 0.00 +0.150 HD ATOM 17 O LIG 1 1.182 -1.065 1.059 0.00 0.00 -0.274 OA BRANCH 15 18 ATOM 18 C LIG 1 3.786 -1.272 0.062 0.00 0.00 +0.161 C BRANCH 18 19 ATOM 19 C LIG 1 4.177 0.123 0.592 0.00 0.00 +0.231 C ATOM 20 O LIG 1 4.865 0.928 -0.030 0.00 0.00 -0.274 OA ATOM 21 N LIG 1 3.581 0.474 1.773 0.00 0.00 -0.328 N ATOM 22 H LIG 1 3.665 1.445 2.046 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 2.713 0.007 2.033 0.00 0.00 +0.145 HD ENDBRANCH 18 19 BRANCH 18 24 ATOM 24 C LIG 1 4.914 -1.909 -0.777 0.00 0.00 +0.012 C ATOM 25 C LIG 1 6.164 -2.156 0.075 0.00 0.00 +0.009 C ATOM 26 C LIG 1 4.465 -3.237 -1.399 0.00 0.00 +0.009 C ENDBRANCH 18 24 ENDBRANCH 15 18 ENDBRANCH 1 14 BRANCH 1 27 ATOM 27 C LIG 1 0.404 0.839 -1.783 0.00 0.00 +0.033 C BRANCH 27 28 ATOM 28 C LIG 1 0.799 2.019 -0.885 0.00 0.00 +0.023 C BRANCH 28 29 ATOM 29 C LIG 1 -0.222 2.358 0.198 0.00 0.00 +0.115 C BRANCH 29 30 ATOM 30 N LIG 1 0.170 3.588 0.873 0.00 0.00 -0.356 N ATOM 31 H LIG 1 0.321 4.357 0.230 0.00 0.00 +0.162 HD BRANCH 30 32 ATOM 32 C LIG 1 -0.491 3.984 1.987 0.00 0.00 +0.188 C ATOM 33 N LIG 1 -1.342 3.273 2.627 0.00 0.00 -0.269 NA ATOM 34 H LIG 1 -1.715 3.804 3.414 0.00 0.00 +0.190 HD BRANCH 32 35 ATOM 35 N LIG 1 -0.134 5.230 2.353 0.00 0.00 -0.370 N ATOM 36 H LIG 1 -0.402 5.485 3.295 0.00 0.00 +0.159 HD ATOM 37 H LIG 1 0.851 5.413 2.200 0.00 0.00 +0.159 HD ENDBRANCH 32 35 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 13