REMARK Name = BDB014694 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.929 -2.634 -0.964 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -4.265 -1.208 -0.603 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -3.207 -0.374 -0.262 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -1.857 -0.896 0.035 0.00 0.00 +0.148 C ATOM 5 C LIG 1 -0.846 0.194 0.003 0.00 0.00 +0.032 A ATOM 6 C LIG 1 0.572 0.166 0.111 0.00 0.00 +0.150 A ATOM 7 N LIG 1 1.069 1.408 0.036 0.00 0.00 -0.156 NA ATOM 8 N LIG 1 0.004 2.209 -0.130 0.00 0.00 -0.269 N ATOM 9 C LIG 1 0.209 3.631 -0.266 0.00 0.00 +0.172 C ATOM 10 C LIG 1 -1.169 1.527 -0.134 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -2.546 2.057 -0.276 0.00 0.00 +0.074 C ATOM 12 C LIG 1 -3.534 0.984 0.225 0.00 0.00 +0.114 C ATOM 13 O LIG 1 -5.436 -0.827 -0.632 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 14 ATOM 14 N LIG 1 1.264 -0.994 0.273 0.00 0.00 -0.295 N ATOM 15 H LIG 1 0.712 -1.842 0.309 0.00 0.00 +0.154 HD BRANCH 14 16 ATOM 16 C LIG 1 2.605 -1.172 0.392 0.00 0.00 +0.070 A ATOM 17 C LIG 1 3.615 -0.244 0.382 0.00 0.00 +0.131 A ATOM 18 N LIG 1 4.776 -0.941 0.535 0.00 0.00 -0.273 N ATOM 19 C LIG 1 6.111 -0.398 0.585 0.00 0.00 +0.172 C ATOM 20 N LIG 1 4.596 -2.272 0.647 0.00 0.00 -0.178 NA ATOM 21 C LIG 1 3.269 -2.408 0.559 0.00 0.00 +0.157 A ENDBRANCH 14 16 ENDBRANCH 6 14 TORSDOF 2