REMARK Name = BDB018707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.055 -0.021 -0.022 0.00 0.00 -0.265 N ATOM 2 C LIG 1 4.170 -0.905 0.810 0.00 0.00 +0.174 C ATOM 3 C LIG 1 2.770 -0.828 0.171 0.00 0.00 +0.205 C ATOM 4 C LIG 1 2.055 -2.187 0.283 0.00 0.00 +0.263 C ATOM 5 O LIG 1 2.622 -3.272 0.352 0.00 0.00 -0.271 OA ATOM 6 N LIG 1 0.687 -2.118 0.197 0.00 0.00 -0.278 N ATOM 7 H LIG 1 0.178 -2.992 0.166 0.00 0.00 +0.155 HD ATOM 8 C LIG 1 0.024 -0.892 0.282 0.00 0.00 +0.096 A ATOM 9 C LIG 1 0.729 0.283 0.533 0.00 0.00 +0.238 A ATOM 10 N LIG 1 0.141 1.486 0.650 0.00 0.00 -0.219 NA ATOM 11 C LIG 1 -1.208 1.518 0.511 0.00 0.00 +0.123 A ATOM 12 C LIG 1 -2.015 0.404 0.262 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -1.361 -0.831 0.153 0.00 0.00 +0.038 A ATOM 14 O LIG 1 2.085 0.296 0.729 0.00 0.00 -0.457 OA ATOM 15 C LIG 1 3.111 -0.529 -1.294 0.00 0.00 +0.079 C ATOM 16 C LIG 1 4.268 0.454 -1.186 0.00 0.00 +0.121 C ENDROOT BRANCH 12 17 ATOM 17 C LIG 1 -3.473 0.521 0.124 0.00 0.00 -0.016 A ATOM 18 C LIG 1 -4.044 1.433 -0.780 0.00 0.00 +0.008 A ATOM 19 C LIG 1 -5.431 1.544 -0.913 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -6.271 0.745 -0.143 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -5.727 -0.165 0.759 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -4.340 -0.276 0.891 0.00 0.00 +0.008 A ENDBRANCH 12 17 BRANCH 1 24 ATOM 23 N LIG 1 7.085 1.135 0.856 0.00 0.00 -0.174 NA ATOM 24 C LIG 1 6.144 0.598 0.449 0.00 0.00 +0.169 C ENDBRANCH 1 24 TORSDOF 2