REMARK Name = BDB008152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.211 -0.132 1.268 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 2.072 0.679 0.756 0.00 0.00 +0.234 C ATOM 3 N LIG 1 1.042 -0.208 0.506 0.00 0.00 -0.302 N ATOM 4 H LIG 1 1.320 -1.129 0.181 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.955 1.650 1.504 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 3.393 0.357 0.031 0.00 0.00 +0.156 C ATOM 7 C LIG 1 4.076 -0.847 0.668 0.00 0.00 +0.038 C BRANCH 6 10 ATOM 8 C LIG 1 5.985 3.064 -0.599 0.00 0.00 +0.109 C ATOM 9 C LIG 1 5.242 1.772 -0.807 0.00 0.00 +0.211 C ATOM 10 N LIG 1 4.243 1.538 0.100 0.00 0.00 -0.304 N ATOM 11 H LIG 1 3.995 2.238 0.793 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 5.518 1.000 -1.720 0.00 0.00 -0.276 OA ENDBRANCH 6 10 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 13 ATOM 13 C LIG 1 -0.981 -1.437 0.986 0.00 0.00 +0.234 C ATOM 14 N LIG 1 -1.205 -1.700 -0.351 0.00 0.00 -0.302 N ATOM 15 H LIG 1 -0.790 -1.044 -1.005 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -1.440 -2.140 1.882 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 -1.471 -3.046 -0.882 0.00 0.00 +0.168 C BRANCH 17 18 ATOM 18 C LIG 1 -2.588 -3.897 -0.234 0.00 0.00 +0.232 C ATOM 19 O LIG 1 -2.692 -5.109 -0.400 0.00 0.00 -0.274 OA ATOM 20 N LIG 1 -3.577 -3.214 0.416 0.00 0.00 -0.328 N ATOM 21 H LIG 1 -4.228 -3.816 0.905 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -3.256 -2.425 0.969 0.00 0.00 +0.145 HD ENDBRANCH 17 18 BRANCH 17 23 ATOM 23 C LIG 1 -0.194 -3.871 -1.139 0.00 0.00 +0.097 C BRANCH 23 24 ATOM 24 S LIG 1 0.906 -4.094 0.300 0.00 0.00 -0.176 S ATOM 25 H LIG 1 0.026 -4.772 1.057 0.00 0.00 +0.102 HD ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 14 17 ENDBRANCH 1 13 BRANCH 1 26 ATOM 26 C LIG 1 -1.055 1.090 0.873 0.00 0.00 +0.033 C BRANCH 26 27 ATOM 27 C LIG 1 -2.259 1.288 1.802 0.00 0.00 +0.023 C BRANCH 27 28 ATOM 28 C LIG 1 -3.094 2.520 1.444 0.00 0.00 +0.115 C BRANCH 28 29 ATOM 29 N LIG 1 -3.914 2.283 0.272 0.00 0.00 -0.356 N ATOM 30 H LIG 1 -4.565 1.513 0.384 0.00 0.00 +0.162 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.542 2.471 -1.011 0.00 0.00 +0.188 C ATOM 32 N LIG 1 -2.529 3.103 -1.473 0.00 0.00 -0.269 NA ATOM 33 H LIG 1 -1.990 3.500 -0.703 0.00 0.00 +0.190 HD BRANCH 31 34 ATOM 34 N LIG 1 -4.403 1.894 -1.869 0.00 0.00 -0.370 N ATOM 35 H LIG 1 -4.154 2.173 -2.815 0.00 0.00 +0.159 HD ATOM 36 H LIG 1 -5.364 2.156 -1.684 0.00 0.00 +0.159 HD ENDBRANCH 31 34 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 14