REMARK Name = BDB018704 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.660 1.059 0.558 0.00 0.00 -0.267 N ATOM 2 C LIG 1 -1.176 0.892 0.688 0.00 0.00 +0.151 C ATOM 3 C LIG 1 -0.790 -0.328 -0.190 0.00 0.00 +0.127 C ATOM 4 C LIG 1 -0.336 -1.478 0.743 0.00 0.00 +0.243 C ATOM 5 O LIG 1 -1.119 -2.279 1.253 0.00 0.00 -0.273 OA ATOM 6 N LIG 1 0.991 -1.498 1.078 0.00 0.00 -0.267 N ATOM 7 H LIG 1 1.324 -2.169 1.754 0.00 0.00 +0.156 HD ATOM 8 C LIG 1 1.952 -0.748 0.409 0.00 0.00 +0.146 A ATOM 9 C LIG 1 1.562 0.033 -0.693 0.00 0.00 +0.069 A ATOM 10 C LIG 1 2.577 0.690 -1.386 0.00 0.00 +0.028 A ATOM 11 C LIG 1 3.893 0.602 -0.937 0.00 0.00 +0.022 A ATOM 12 C LIG 1 4.158 -0.172 0.182 0.00 0.00 +0.113 A ATOM 13 N LIG 1 3.215 -0.857 0.863 0.00 0.00 -0.238 NA ATOM 14 N LIG 1 0.247 0.031 -1.194 0.00 0.00 -0.327 N ATOM 15 H LIG 1 0.026 0.870 -1.726 0.00 0.00 +0.147 HD ATOM 16 C LIG 1 -2.084 -0.686 -0.926 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -3.189 -0.211 0.000 0.00 0.00 +0.119 C ENDROOT BRANCH 1 19 ATOM 18 N LIG 1 -3.988 2.575 2.032 0.00 0.00 -0.174 NA ATOM 19 C LIG 1 -3.377 1.871 1.347 0.00 0.00 +0.169 C ENDBRANCH 1 19 TORSDOF 1