REMARK Name = BDB057578 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.564 -0.867 -0.236 0.00 0.00 +0.124 A ATOM 2 C LIG 1 -1.176 -1.044 -0.197 0.00 0.00 +0.055 A ATOM 3 C LIG 1 -0.294 0.001 0.151 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.167 -0.230 0.126 0.00 0.00 -0.007 A ATOM 5 C LIG 1 2.031 0.732 -0.452 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.450 2.017 -0.983 0.00 0.00 +0.268 C ATOM 7 O LIG 1 0.994 2.808 0.121 0.00 0.00 -0.456 OA ATOM 8 C LIG 1 -0.021 2.393 0.923 0.00 0.00 +0.344 C ATOM 9 O LIG 1 -0.258 2.950 1.989 0.00 0.00 -0.245 OA ATOM 10 C LIG 1 3.421 0.516 -0.489 0.00 0.00 +0.056 A ATOM 11 C LIG 1 3.945 -0.656 0.038 0.00 0.00 +0.159 A ATOM 12 C LIG 1 3.103 -1.607 0.603 0.00 0.00 +0.159 A ATOM 13 C LIG 1 1.731 -1.405 0.655 0.00 0.00 +0.058 A ATOM 14 C LIG 1 -0.859 1.256 0.459 0.00 0.00 +0.108 A ATOM 15 C LIG 1 -2.251 1.435 0.402 0.00 0.00 +0.135 A ATOM 16 C LIG 1 -3.102 0.381 0.060 0.00 0.00 +0.091 A ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -4.686 -1.884 -0.597 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -3.268 -1.983 -0.595 0.00 0.00 -0.495 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 O LIG 1 5.286 -0.919 0.031 0.00 0.00 -0.503 OA ATOM 20 H LIG 1 5.747 -0.146 -0.340 0.00 0.00 +0.292 HD ENDBRANCH 11 19 BRANCH 12 21 ATOM 21 O LIG 1 3.625 -2.758 1.121 0.00 0.00 -0.503 OA ATOM 22 H LIG 1 4.590 -2.672 0.988 0.00 0.00 +0.292 HD ENDBRANCH 12 21 BRANCH 15 23 ATOM 23 O LIG 1 -2.793 2.669 0.636 0.00 0.00 -0.506 OA ATOM 24 H LIG 1 -3.733 2.580 0.863 0.00 0.00 +0.292 HD ENDBRANCH 15 23 TORSDOF 4