REMARK Name = BDB008410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -3.393 2.257 -0.353 0.00 0.00 -0.266 OA ATOM 2 C LIG 1 -2.264 1.773 -0.214 0.00 0.00 +0.272 A ATOM 3 C LIG 1 -2.148 0.306 -0.180 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -0.915 -0.326 -0.038 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.841 -1.722 -0.027 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -1.974 -2.533 -0.146 0.00 0.00 +0.026 A ATOM 7 C LIG 1 -3.209 -1.893 -0.283 0.00 0.00 +0.003 A ATOM 8 N LIG 1 0.489 -2.061 0.114 0.00 0.00 -0.357 N ATOM 9 H LIG 1 0.842 -3.009 0.148 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 1.240 -0.921 0.186 0.00 0.00 +0.026 A ATOM 11 C LIG 1 2.719 -0.858 0.324 0.00 0.00 +0.054 C ATOM 12 C LIG 1 3.199 0.517 -0.177 0.00 0.00 +0.012 C ATOM 13 C LIG 1 2.374 1.677 0.406 0.00 0.00 +0.058 C ATOM 14 C LIG 1 0.870 1.509 0.165 0.00 0.00 +0.071 A ATOM 15 N LIG 1 0.142 2.574 0.073 0.00 0.00 -0.175 NA ATOM 16 C LIG 1 0.388 0.160 0.108 0.00 0.00 +0.027 A ATOM 17 C LIG 1 -3.297 -0.500 -0.301 0.00 0.00 +0.014 A ATOM 18 N LIG 1 -1.205 2.651 -0.106 0.00 0.00 -0.242 N ATOM 19 H LIG 1 -1.531 3.614 -0.153 0.00 0.00 +0.192 HD ENDROOT TORSDOF 0