REMARK Name = BDB000086 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.531 -1.384 1.453 0.00 0.00 +0.044 A ATOM 2 C LIG 1 -0.684 -0.596 0.651 0.00 0.00 +0.007 A ATOM 3 C LIG 1 0.710 -0.706 0.902 0.00 0.00 +0.056 A ATOM 4 C LIG 1 1.118 -1.592 1.902 0.00 0.00 +0.229 A ATOM 5 O LIG 1 2.472 -1.599 2.012 0.00 0.00 -0.437 OA ATOM 6 C LIG 1 2.955 -0.706 1.113 0.00 0.00 +0.138 A ATOM 7 C LIG 1 4.306 -0.415 0.926 0.00 0.00 +0.050 A ATOM 8 C LIG 1 4.616 0.545 -0.042 0.00 0.00 +0.049 A ATOM 9 C LIG 1 3.602 1.166 -0.766 0.00 0.00 +0.118 A ATOM 10 C LIG 1 2.252 0.858 -0.563 0.00 0.00 +0.057 A ATOM 11 N LIG 1 0.337 -2.356 2.685 0.00 0.00 -0.220 NA ATOM 12 C LIG 1 1.916 -0.113 0.402 0.00 0.00 +0.034 A ATOM 13 C LIG 1 -0.981 -2.202 2.436 0.00 0.00 +0.126 A ENDROOT BRANCH 2 14 ATOM 14 C LIG 1 -1.157 0.349 -0.361 0.00 0.00 -0.016 A ATOM 15 C LIG 1 -1.028 0.064 -1.730 0.00 0.00 +0.008 A ATOM 16 C LIG 1 -1.489 0.964 -2.693 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -2.085 2.160 -2.300 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -2.220 2.458 -0.947 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -1.760 1.559 0.018 0.00 0.00 +0.008 A ENDBRANCH 2 14 BRANCH 1 21 ATOM 20 C LIG 1 -3.640 -1.584 -0.009 0.00 0.00 +0.091 C ATOM 21 C LIG 1 -3.006 -1.393 1.343 0.00 0.00 +0.162 C ATOM 22 O LIG 1 -3.675 -1.287 2.368 0.00 0.00 -0.292 OA ENDBRANCH 1 21 BRANCH 9 23 ATOM 23 O LIG 1 3.889 2.109 -1.711 0.00 0.00 -0.507 OA ATOM 24 H LIG 1 4.851 2.243 -1.740 0.00 0.00 +0.292 HD ENDBRANCH 9 23 TORSDOF 3