REMARK Name = BDB031013 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.173 -1.832 -1.950 0.00 0.00 +0.161 C ATOM 2 C LIG 1 0.450 -2.426 -0.730 0.00 0.00 +0.239 C ATOM 3 O LIG 1 -0.507 -3.188 -0.877 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.829 -1.989 0.525 0.00 0.00 -0.262 N ATOM 5 C LIG 1 2.158 -1.549 0.892 0.00 0.00 +0.209 C ATOM 6 C LIG 1 2.267 -1.882 2.381 0.00 0.00 +0.061 C ATOM 7 C LIG 1 0.822 -1.765 2.903 0.00 0.00 +0.009 C ATOM 8 C LIG 1 0.631 -2.550 4.214 0.00 0.00 +0.036 C ATOM 9 C LIG 1 0.961 -1.522 5.252 0.00 0.00 -0.030 C ATOM 10 C LIG 1 0.911 -0.283 4.750 0.00 0.00 -0.030 C ATOM 11 C LIG 1 0.530 -0.295 3.301 0.00 0.00 +0.036 C ATOM 12 O LIG 1 3.156 -2.313 0.242 0.00 0.00 -0.359 OA ATOM 13 C LIG 1 3.545 -1.804 -1.023 0.00 0.00 +0.164 C ATOM 14 C LIG 1 0.032 -2.349 1.712 0.00 0.00 +0.171 C ATOM 15 C LIG 1 2.611 -2.300 -2.108 0.00 0.00 +0.060 C ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 1.144 0.443 -2.999 0.00 0.00 +0.230 C ATOM 17 N LIG 1 1.019 -0.384 -1.907 0.00 0.00 -0.303 N ATOM 18 H LIG 1 0.915 0.113 -1.025 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 1.433 0.044 -4.121 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 0.796 1.909 -2.655 0.00 0.00 +0.137 C ATOM 21 C LIG 1 1.339 2.888 -3.691 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 2.575 2.519 -1.053 0.00 0.00 +0.101 C ATOM 23 N LIG 1 1.164 2.204 -1.239 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 0.608 3.008 -0.936 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 14 25 ATOM 25 C LIG 1 -1.421 -1.821 1.685 0.00 0.00 +0.235 C ATOM 26 N LIG 1 -1.618 -0.706 0.897 0.00 0.00 -0.307 N ATOM 27 H LIG 1 -0.933 -0.523 0.181 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 -2.288 -2.267 2.434 0.00 0.00 -0.274 OA BRANCH 26 29 ATOM 29 C LIG 1 -2.926 -0.102 0.718 0.00 0.00 +0.103 C ATOM 30 C LIG 1 -2.733 1.339 0.277 0.00 0.00 -0.024 A ATOM 31 C LIG 1 -2.974 1.749 -1.049 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -2.772 3.092 -1.403 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -2.305 4.014 -0.466 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.047 3.608 0.839 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.510 0.795 -2.087 0.00 0.00 +0.035 C ATOM 36 C LIG 1 -3.329 -0.675 -1.709 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -2.260 2.280 1.209 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -3.781 -0.912 -0.272 0.00 0.00 +0.027 C ENDBRANCH 26 29 ENDBRANCH 14 25 TORSDOF 5