REMARK Name = BDB018723 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.524 -0.185 0.327 0.00 0.00 +0.074 C ATOM 2 N LIG 1 -1.251 -0.267 -1.081 0.00 0.00 -0.312 N ATOM 3 H LIG 1 -1.879 -0.618 -1.794 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 0.081 -0.049 -1.377 0.00 0.00 +0.221 C ATOM 5 O LIG 1 0.567 -0.130 -2.491 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 0.807 0.248 -0.077 0.00 0.00 +0.066 C ATOM 7 C LIG 1 1.527 -1.015 0.409 0.00 0.00 +0.132 C ATOM 8 N LIG 1 2.983 -0.776 0.168 0.00 0.00 -0.268 N ATOM 9 C LIG 1 3.121 0.476 -0.617 0.00 0.00 +0.117 C ATOM 10 C LIG 1 1.902 1.292 -0.219 0.00 0.00 +0.037 C ATOM 11 C LIG 1 -0.361 0.674 0.825 0.00 0.00 +0.040 C ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -4.040 -0.480 0.241 0.00 0.00 +0.006 C ATOM 13 C LIG 1 -2.886 0.426 0.647 0.00 0.00 +0.019 C ENDBRANCH 1 13 BRANCH 8 14 ATOM 14 C LIG 1 3.902 -1.751 0.173 0.00 0.00 +0.169 C ATOM 15 N LIG 1 4.690 -2.598 0.185 0.00 0.00 -0.174 NA ENDBRANCH 8 14 TORSDOF 2