REMARK Name = BDB015161 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.766 -1.276 0.704 0.00 0.00 -0.489 OA ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 4.005 0.283 0.072 0.00 0.00 +0.040 A ATOM 3 C LIG 1 2.977 -0.624 0.392 0.00 0.00 +0.069 A ATOM 4 C LIG 1 1.621 -0.260 0.376 0.00 0.00 +0.122 A ATOM 5 C LIG 1 1.267 1.041 0.043 0.00 0.00 +0.046 A ATOM 6 C LIG 1 2.263 1.968 -0.252 0.00 0.00 +0.005 A ATOM 7 C LIG 1 3.612 1.595 -0.228 0.00 0.00 +0.024 A BRANCH 2 9 ATOM 8 C LIG 1 5.707 -1.491 0.496 0.00 0.00 +0.138 C ATOM 9 N LIG 1 5.396 -0.112 0.116 0.00 0.00 -0.268 N ATOM 10 C LIG 1 6.438 0.738 -0.321 0.00 0.00 +0.287 C ATOM 11 O LIG 1 6.284 1.587 -1.200 0.00 0.00 -0.266 OA BRANCH 10 12 ATOM 12 C LIG 1 7.738 0.592 0.307 0.00 0.00 +0.210 A ATOM 13 O LIG 1 7.894 -0.013 1.533 0.00 0.00 -0.438 OA ATOM 14 C LIG 1 9.226 0.098 1.790 0.00 0.00 +0.308 A ATOM 15 N LIG 1 9.925 0.712 0.865 0.00 0.00 -0.224 NA ATOM 16 C LIG 1 8.982 1.047 -0.075 0.00 0.00 +0.165 A ENDBRANCH 10 12 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 17 ATOM 17 C LIG 1 -0.644 -1.019 0.728 0.00 0.00 +0.261 C BRANCH 17 18 ATOM 18 C LIG 1 -1.267 -1.172 -0.666 0.00 0.00 +0.166 C BRANCH 18 19 ATOM 19 O LIG 1 -1.354 -2.568 -1.007 0.00 0.00 -0.387 OA ATOM 20 H LIG 1 -2.183 -2.875 -0.587 0.00 0.00 +0.210 HD ENDBRANCH 18 19 BRANCH 18 21 ATOM 21 C LIG 1 -2.682 -0.561 -0.777 0.00 0.00 +0.119 C BRANCH 21 22 ATOM 22 N LIG 1 -3.689 -1.362 -0.042 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 -4.955 -1.470 -0.801 0.00 0.00 +0.120 C ATOM 24 C LIG 1 -5.792 -0.210 -0.817 0.00 0.00 -0.030 A ATOM 25 C LIG 1 -5.695 0.730 0.225 0.00 0.00 -0.042 A ATOM 26 C LIG 1 -6.512 1.868 0.212 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -7.433 2.063 -0.817 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -7.543 1.126 -1.841 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -4.678 0.547 1.322 0.00 0.00 +0.051 C ATOM 30 C LIG 1 -6.730 -0.008 -1.839 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.001 -0.834 1.300 0.00 0.00 +0.089 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 8