REMARK Name = BDB008160 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.680 0.803 0.717 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.598 1.712 0.675 0.00 0.00 +0.237 C ATOM 3 N LIG 1 0.460 1.328 -0.013 0.00 0.00 -0.302 N ATOM 4 H LIG 1 0.621 0.933 -0.942 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.559 1.972 1.880 0.00 0.00 -0.273 OA BRANCH 2 6 ATOM 6 C LIG 1 2.911 1.718 -0.228 0.00 0.00 +0.111 C ATOM 7 C LIG 1 2.984 2.812 -1.345 0.00 0.00 +0.035 C ATOM 8 C LIG 1 4.462 3.030 -0.982 0.00 0.00 +0.005 C ATOM 9 C LIG 1 4.149 2.442 0.404 0.00 0.00 +0.035 C BRANCH 6 12 ATOM 10 C LIG 1 3.027 -1.763 -1.877 0.00 0.00 +0.109 C ATOM 11 C LIG 1 2.586 -0.338 -1.671 0.00 0.00 +0.211 C ATOM 12 N LIG 1 3.292 0.333 -0.694 0.00 0.00 -0.302 N ATOM 13 H LIG 1 3.782 -0.259 -0.029 0.00 0.00 +0.150 HD ATOM 14 O LIG 1 1.667 0.170 -2.309 0.00 0.00 -0.276 OA ENDBRANCH 6 12 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 15 ATOM 15 C LIG 1 -0.417 -0.696 0.998 0.00 0.00 +0.234 C ATOM 16 N LIG 1 -1.002 -1.153 2.168 0.00 0.00 -0.302 N ATOM 17 H LIG 1 -1.119 -0.439 2.877 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 0.190 -1.422 0.214 0.00 0.00 -0.274 OA BRANCH 16 19 ATOM 19 C LIG 1 -0.793 -2.513 2.684 0.00 0.00 +0.161 C BRANCH 19 20 ATOM 20 C LIG 1 0.612 -2.598 3.337 0.00 0.00 +0.231 C ATOM 21 O LIG 1 1.582 -1.919 3.014 0.00 0.00 -0.274 OA ATOM 22 N LIG 1 0.742 -3.502 4.356 0.00 0.00 -0.328 N ATOM 23 H LIG 1 1.633 -3.516 4.836 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 -0.052 -3.929 4.812 0.00 0.00 +0.145 HD ENDBRANCH 19 20 BRANCH 19 25 ATOM 25 C LIG 1 -1.091 -3.657 1.679 0.00 0.00 +0.012 C ATOM 26 C LIG 1 -2.443 -3.453 0.976 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -1.108 -5.038 2.347 0.00 0.00 +0.009 C ENDBRANCH 19 25 ENDBRANCH 16 19 ENDBRANCH 1 15 BRANCH 1 28 ATOM 28 C LIG 1 -1.976 0.933 -0.089 0.00 0.00 +0.033 C BRANCH 28 29 ATOM 29 C LIG 1 -2.413 2.394 -0.260 0.00 0.00 +0.023 C BRANCH 29 30 ATOM 30 C LIG 1 -3.693 2.522 -1.088 0.00 0.00 +0.115 C BRANCH 30 31 ATOM 31 N LIG 1 -3.481 2.064 -2.452 0.00 0.00 -0.356 N ATOM 32 H LIG 1 -4.263 1.543 -2.827 0.00 0.00 +0.162 HD BRANCH 31 33 ATOM 33 C LIG 1 -2.893 2.851 -3.383 0.00 0.00 +0.188 C ATOM 34 N LIG 1 -2.433 4.028 -3.179 0.00 0.00 -0.269 NA ATOM 35 H LIG 1 -2.054 4.407 -4.046 0.00 0.00 +0.190 HD BRANCH 33 36 ATOM 36 N LIG 1 -2.835 2.226 -4.575 0.00 0.00 -0.370 N ATOM 37 H LIG 1 -2.191 2.648 -5.232 0.00 0.00 +0.159 HD ATOM 38 H LIG 1 -2.619 1.240 -4.466 0.00 0.00 +0.159 HD ENDBRANCH 33 36 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 13