REMARK Name = BDB064834 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.448 -0.511 -0.641 0.00 0.00 +0.065 C ATOM 2 C LIG 1 0.305 0.648 -0.093 0.00 0.00 +0.115 C ATOM 3 C LIG 1 1.708 0.126 -0.330 0.00 0.00 +0.219 C ATOM 4 C LIG 1 2.291 -0.586 0.897 0.00 0.00 +0.266 C ATOM 5 O LIG 1 1.642 -0.844 1.910 0.00 0.00 -0.271 OA ATOM 6 N LIG 1 3.629 -0.894 0.831 0.00 0.00 -0.253 N ATOM 7 H LIG 1 3.996 -1.349 1.657 0.00 0.00 +0.158 HD ATOM 8 C LIG 1 4.562 -0.171 0.135 0.00 0.00 +0.219 C ATOM 9 O LIG 1 5.746 -0.188 0.459 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 4.056 0.636 -1.037 0.00 0.00 +0.100 C ATOM 11 C LIG 1 2.679 1.226 -0.754 0.00 0.00 +0.070 C ATOM 12 O LIG 1 1.573 -0.818 -1.399 0.00 0.00 -0.377 OA ATOM 13 N LIG 1 0.247 -1.304 -1.393 0.00 0.00 -0.092 NA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -1.921 -0.742 -0.382 0.00 0.00 +0.036 C BRANCH 14 16 ATOM 15 C LIG 1 -2.986 1.626 -0.215 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -2.790 0.352 -1.026 0.00 0.00 +0.006 C ENDBRANCH 14 16 BRANCH 14 17 ATOM 17 C LIG 1 -2.163 -1.006 1.111 0.00 0.00 +0.006 C ATOM 18 C LIG 1 -3.553 -1.557 1.397 0.00 0.00 +0.004 C ENDBRANCH 14 17 ENDBRANCH 1 14 TORSDOF 3