REMARK Name = BDB005605 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.156 -0.198 0.691 0.00 0.00 -0.031 A ATOM 2 C LIG 1 1.458 -1.344 0.293 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.066 -1.307 0.154 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -0.664 -0.126 0.352 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -2.139 -0.140 0.142 0.00 0.00 +0.047 A ATOM 6 N LIG 1 -2.875 1.069 0.095 0.00 0.00 -0.332 N ATOM 7 C LIG 1 -2.449 2.161 -0.804 0.00 0.00 +0.129 C ATOM 8 C LIG 1 -4.356 1.021 0.172 0.00 0.00 +0.105 C ATOM 9 C LIG 1 -4.855 -0.270 0.802 0.00 0.00 +0.024 C ATOM 10 C LIG 1 -4.241 -1.471 0.087 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -2.746 -1.343 0.051 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -1.972 -2.605 -0.096 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -2.522 -3.695 -0.224 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 0.038 0.992 0.823 0.00 0.00 +0.012 A ATOM 15 N LIG 1 -0.612 -2.499 -0.115 0.00 0.00 -0.322 N ATOM 16 H LIG 1 -0.106 -3.368 -0.210 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 1.429 0.963 0.978 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 3.660 -0.228 0.868 0.00 0.00 +0.119 C BRANCH 18 20 ATOM 19 C LIG 1 5.762 0.884 0.502 0.00 0.00 +0.104 C ATOM 20 N LIG 1 4.361 0.804 0.084 0.00 0.00 -0.304 NA ATOM 21 C LIG 1 4.287 0.528 -1.353 0.00 0.00 +0.104 C ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 2