REMARK Name = BDB010739 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.905 -2.544 -0.264 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -2.640 -1.064 -0.243 0.00 0.00 -0.026 A ATOM 3 C LIG 1 -1.329 -0.550 -0.227 0.00 0.00 +0.052 A ATOM 4 N LIG 1 -0.201 -1.379 -0.216 0.00 0.00 -0.357 N ATOM 5 H LIG 1 -0.322 -2.382 -0.270 0.00 0.00 +0.166 HD ATOM 6 C LIG 1 1.085 -0.878 -0.206 0.00 0.00 +0.022 A ATOM 7 C LIG 1 2.199 -1.904 -0.199 0.00 0.00 +0.053 C ATOM 8 C LIG 1 3.565 -1.332 0.183 0.00 0.00 +0.006 C ATOM 9 C LIG 1 3.825 -0.019 -0.542 0.00 0.00 +0.005 C ATOM 10 C LIG 1 2.749 1.015 -0.205 0.00 0.00 +0.039 C ATOM 11 C LIG 1 1.358 0.443 -0.193 0.00 0.00 -0.001 A ATOM 12 C LIG 1 0.212 1.411 -0.178 0.00 0.00 +0.099 A ATOM 13 N LIG 1 0.432 2.695 -0.146 0.00 0.00 -0.171 NA ATOM 14 N LIG 1 -0.644 3.533 -0.138 0.00 0.00 -0.242 N ATOM 15 H LIG 1 -0.442 4.527 -0.115 0.00 0.00 +0.192 HD ATOM 16 C LIG 1 -1.966 3.156 -0.163 0.00 0.00 +0.273 A ATOM 17 O LIG 1 -2.885 3.968 -0.158 0.00 0.00 -0.266 OA ATOM 18 C LIG 1 -2.227 1.710 -0.195 0.00 0.00 +0.052 A ATOM 19 C LIG 1 -3.528 1.208 -0.216 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -1.148 0.841 -0.201 0.00 0.00 +0.038 A ATOM 21 C LIG 1 -3.731 -0.174 -0.240 0.00 0.00 +0.006 A ENDROOT TORSDOF 0