REMARK Name = BDB055153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.539 0.252 -0.103 0.00 0.00 +0.325 C ATOM 2 O LIG 1 -0.456 1.241 -0.824 0.00 0.00 -0.249 OA ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.648 -0.557 0.392 0.00 0.00 +0.224 C BRANCH 3 6 ATOM 4 C LIG 1 4.287 0.159 -0.399 0.00 0.00 +0.109 C ATOM 5 C LIG 1 3.101 -0.546 0.199 0.00 0.00 +0.210 C ATOM 6 N LIG 1 1.888 0.011 -0.112 0.00 0.00 -0.305 N ATOM 7 H LIG 1 1.827 0.835 -0.702 0.00 0.00 +0.149 HD ATOM 8 O LIG 1 3.219 -1.540 0.908 0.00 0.00 -0.276 OA ENDBRANCH 3 6 ENDBRANCH 1 3 BRANCH 1 9 ATOM 9 O LIG 1 -1.703 -0.271 0.362 0.00 0.00 -0.452 OA BRANCH 9 10 ATOM 10 C LIG 1 -2.864 0.441 -0.065 0.00 0.00 +0.352 C BRANCH 10 11 ATOM 11 C LIG 1 -4.134 -0.190 0.486 0.00 0.00 +0.343 C ATOM 12 O LIG 1 -4.178 -1.178 1.203 0.00 0.00 -0.247 OA BRANCH 11 13 ATOM 13 O LIG 1 -5.258 0.465 0.098 0.00 0.00 -0.478 OA ATOM 14 H LIG 1 -5.104 1.241 -0.474 0.00 0.00 +0.295 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 1 9 TORSDOF 6