REMARK Name = BDB007283 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.784 -0.291 0.025 0.00 0.00 +0.061 A ATOM 2 C LIG 1 1.804 -1.187 0.453 0.00 0.00 +0.041 A ATOM 3 C LIG 1 0.456 -0.874 0.267 0.00 0.00 +0.051 A ATOM 4 N LIG 1 -0.508 -1.786 0.715 0.00 0.00 -0.322 N ATOM 5 H LIG 1 -0.226 -2.654 1.156 0.00 0.00 +0.169 HD ATOM 6 C LIG 1 -1.863 -1.604 0.596 0.00 0.00 +0.257 A ATOM 7 C LIG 1 -2.330 -0.355 -0.052 0.00 0.00 +0.050 A ATOM 8 C LIG 1 -1.393 0.581 -0.513 0.00 0.00 +0.014 A ATOM 9 C LIG 1 -1.939 1.719 -1.103 0.00 0.00 +0.120 A ATOM 10 N LIG 1 -3.266 1.962 -1.249 0.00 0.00 -0.263 NA ATOM 11 C LIG 1 -4.119 1.026 -0.788 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -3.704 -0.142 -0.185 0.00 0.00 +0.033 A ATOM 13 O LIG 1 -2.656 -2.442 1.010 0.00 0.00 -0.267 OA ATOM 14 C LIG 1 0.050 0.323 -0.355 0.00 0.00 +0.008 A ATOM 15 C LIG 1 1.059 1.198 -0.797 0.00 0.00 +0.011 A ATOM 16 C LIG 1 2.415 0.895 -0.615 0.00 0.00 +0.016 A ENDROOT BRANCH 1 18 ATOM 17 O LIG 1 4.623 -1.788 0.093 0.00 0.00 -0.245 OA ATOM 18 C LIG 1 4.204 -0.652 0.227 0.00 0.00 +0.337 C BRANCH 18 19 ATOM 19 O LIG 1 4.968 0.390 0.615 0.00 0.00 -0.477 OA ATOM 20 H LIG 1 4.476 1.197 0.855 0.00 0.00 +0.295 HD ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 2