REMARK Name = BDB050186 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.891 0.280 -0.047 0.00 0.00 +0.011 C ATOM 2 C LIG 1 -2.297 0.891 0.022 0.00 0.00 +0.111 C ATOM 3 N LIG 1 -3.329 -0.153 0.012 0.00 0.00 -0.304 N ATOM 4 C LIG 1 -2.966 -1.441 0.624 0.00 0.00 +0.108 C ATOM 5 C LIG 1 -1.915 -1.256 1.712 0.00 0.00 +0.019 C ATOM 6 C LIG 1 -0.636 -0.615 1.177 0.00 0.00 +0.007 C ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -4.603 0.109 -0.404 0.00 0.00 +0.173 C ATOM 8 N LIG 1 -5.154 1.263 -0.539 0.00 0.00 -0.273 NA ATOM 9 H LIG 1 -4.503 1.985 -0.231 0.00 0.00 +0.189 HD BRANCH 7 10 ATOM 10 N LIG 1 -5.348 -0.966 -0.733 0.00 0.00 -0.331 N ATOM 11 H LIG 1 -6.209 -0.645 -1.163 0.00 0.00 +0.145 HD ATOM 12 H LIG 1 -4.857 -1.601 -1.347 0.00 0.00 +0.145 HD ENDBRANCH 7 10 ENDBRANCH 3 7 BRANCH 1 13 ATOM 13 C LIG 1 0.170 1.387 -0.190 0.00 0.00 +0.040 C BRANCH 13 16 ATOM 14 C LIG 1 3.813 0.345 0.307 0.00 0.00 +0.120 A ATOM 15 C LIG 1 2.529 0.844 0.546 0.00 0.00 +0.049 A ATOM 16 C LIG 1 1.556 0.857 -0.464 0.00 0.00 -0.044 A ATOM 17 C LIG 1 1.890 0.359 -1.729 0.00 0.00 +0.004 A ATOM 18 C LIG 1 3.170 -0.139 -1.973 0.00 0.00 +0.004 A ATOM 19 C LIG 1 4.130 -0.147 -0.958 0.00 0.00 +0.045 A BRANCH 14 21 ATOM 20 C LIG 1 5.976 -0.089 1.192 0.00 0.00 +0.277 C ATOM 21 O LIG 1 4.654 0.395 1.386 0.00 0.00 -0.495 OA ENDBRANCH 14 21 ENDBRANCH 13 16 ENDBRANCH 1 13 TORSDOF 5