REMARK Name = BDB003056 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.402 -2.743 1.948 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.088 -1.708 1.096 0.00 0.00 -0.026 A ATOM 3 C LIG 1 -0.385 -0.681 0.429 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -1.101 0.247 -0.347 0.00 0.00 +0.035 A ATOM 5 C LIG 1 -2.497 0.181 -0.478 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -3.162 -0.841 0.190 0.00 0.00 +0.140 A ATOM 7 O LIG 1 -4.560 -0.986 0.118 0.00 0.00 -0.422 OA ATOM 8 C LIG 1 -5.329 -0.109 -0.627 0.00 0.00 +0.337 A ATOM 9 C LIG 1 -4.615 0.968 -1.331 0.00 0.00 +0.096 A ATOM 10 O LIG 1 -6.547 -0.211 -0.709 0.00 0.00 -0.245 OA ATOM 11 C LIG 1 -3.285 1.130 -1.279 0.00 0.00 -0.033 A ATOM 12 C LIG 1 -2.605 2.247 -2.015 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -2.484 -1.777 0.968 0.00 0.00 +0.052 A ENDROOT BRANCH 3 14 ATOM 14 N LIG 1 1.024 -0.625 0.569 0.00 0.00 -0.285 N ATOM 15 H LIG 1 1.442 -1.339 1.149 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 1.906 0.287 0.009 0.00 0.00 +0.218 C ATOM 17 O LIG 1 1.625 1.229 -0.722 0.00 0.00 -0.275 OA BRANCH 16 18 ATOM 18 C LIG 1 3.337 -0.012 0.414 0.00 0.00 +0.107 C BRANCH 18 19 ATOM 19 C LIG 1 4.322 0.981 -0.192 0.00 0.00 +0.129 C BRANCH 19 20 ATOM 20 C LIG 1 5.725 0.657 0.227 0.00 0.00 +0.305 C ATOM 21 O LIG 1 6.084 -0.258 0.949 0.00 0.00 -0.251 OA BRANCH 20 22 ATOM 22 O LIG 1 6.621 1.517 -0.292 0.00 0.00 -0.481 OA ATOM 23 H LIG 1 7.487 1.207 0.048 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 3 14 TORSDOF 5