REMARK Name = BDB001684 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.001 -0.059 -0.376 0.00 0.00 +0.139 A ATOM 2 N LIG 1 -1.942 -0.202 0.620 0.00 0.00 -0.338 N ATOM 3 H LIG 1 -1.744 -0.294 1.605 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 -3.194 -0.179 0.057 0.00 0.00 +0.069 A ATOM 5 C LIG 1 -2.951 -0.013 -1.300 0.00 0.00 +0.091 A ATOM 6 C LIG 1 -4.028 0.052 -2.199 0.00 0.00 +0.052 A ATOM 7 C LIG 1 -5.332 -0.051 -1.699 0.00 0.00 +0.073 A ATOM 8 C LIG 1 -5.532 -0.210 -0.325 0.00 0.00 +0.146 A ATOM 9 CL LIG 1 -6.629 -0.003 -2.840 0.00 0.00 -0.081 Cl ATOM 10 C LIG 1 -4.474 -0.284 0.601 0.00 0.00 +0.062 A ATOM 11 N LIG 1 -1.606 0.063 -1.545 0.00 0.00 -0.228 NA ENDROOT BRANCH 1 15 ATOM 12 C LIG 1 3.267 0.057 0.177 0.00 0.00 +0.033 A ATOM 13 C LIG 1 2.431 -0.331 1.231 0.00 0.00 +0.024 A ATOM 14 C LIG 1 1.039 -0.374 1.069 0.00 0.00 +0.013 A ATOM 15 C LIG 1 0.450 -0.031 -0.154 0.00 0.00 +0.017 A ATOM 16 C LIG 1 1.295 0.348 -1.205 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.687 0.394 -1.044 0.00 0.00 +0.024 A BRANCH 12 20 ATOM 18 C LIG 1 7.030 0.321 0.174 0.00 0.00 +0.109 C ATOM 19 C LIG 1 5.662 0.434 -0.452 0.00 0.00 +0.214 C ATOM 20 N LIG 1 4.654 0.072 0.425 0.00 0.00 -0.286 N ATOM 21 H LIG 1 4.942 -0.204 1.355 0.00 0.00 +0.155 HD ATOM 22 O LIG 1 5.532 0.833 -1.603 0.00 0.00 -0.276 OA ENDBRANCH 12 20 ENDBRANCH 1 15 BRANCH 8 23 ATOM 23 N LIG 1 -6.872 -0.308 0.204 0.00 0.00 +0.058 N ATOM 24 O LIG 1 -7.217 -1.413 0.644 0.00 0.00 -0.126 OA ATOM 25 O LIG 1 -7.547 0.728 0.230 0.00 0.00 -0.126 OA ENDBRANCH 8 23 TORSDOF 3