REMARK Name = BDB048675 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.027 0.564 -0.616 0.00 0.00 -0.285 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.059 1.753 -1.261 0.00 0.00 +0.291 A ATOM 3 O LIG 1 0.134 2.260 -1.708 0.00 0.00 -0.424 OA ATOM 4 C LIG 1 -0.200 3.446 -2.287 0.00 0.00 +0.157 A ATOM 5 C LIG 1 -1.570 3.599 -2.171 0.00 0.00 +0.111 A ATOM 6 C LIG 1 -2.170 4.753 -2.692 0.00 0.00 +0.031 A ATOM 7 C LIG 1 -1.343 5.706 -3.309 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.042 5.511 -3.407 0.00 0.00 +0.004 A ATOM 9 C LIG 1 0.654 4.362 -2.892 0.00 0.00 +0.048 A ATOM 10 N LIG 1 -2.104 2.516 -1.520 0.00 0.00 -0.195 NA ENDBRANCH 1 2 BRANCH 1 11 ATOM 11 C LIG 1 0.243 -0.089 -0.309 0.00 0.00 +0.114 C BRANCH 11 12 ATOM 12 C LIG 1 0.900 0.521 0.936 0.00 0.00 +0.054 C BRANCH 12 15 ATOM 13 C LIG 1 4.618 -0.282 1.050 0.00 0.00 +0.122 A ATOM 14 C LIG 1 3.413 0.349 0.751 0.00 0.00 +0.049 A ATOM 15 C LIG 1 2.209 -0.151 1.268 0.00 0.00 -0.042 A ATOM 16 C LIG 1 2.239 -1.292 2.081 0.00 0.00 +0.004 A ATOM 17 C LIG 1 3.453 -1.906 2.397 0.00 0.00 +0.004 A ATOM 18 C LIG 1 4.647 -1.393 1.890 0.00 0.00 +0.046 A BRANCH 13 19 ATOM 19 O LIG 1 5.766 0.282 0.566 0.00 0.00 -0.478 OA BRANCH 19 21 ATOM 20 C LIG 1 7.952 -0.507 0.073 0.00 0.00 +0.064 C ATOM 21 C LIG 1 6.479 -0.581 -0.325 0.00 0.00 +0.278 C BRANCH 21 22 ATOM 22 C LIG 1 6.306 -0.131 -1.785 0.00 0.00 +0.346 C ATOM 23 O LIG 1 5.705 0.867 -2.159 0.00 0.00 -0.247 OA BRANCH 22 24 ATOM 24 O LIG 1 6.877 -0.982 -2.679 0.00 0.00 -0.478 OA ATOM 25 H LIG 1 7.284 -1.776 -2.285 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 13 19 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 1 26 ATOM 26 C LIG 1 -2.240 0.082 0.035 0.00 0.00 +0.113 C BRANCH 26 27 ATOM 27 C LIG 1 -3.041 -0.794 -0.928 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 -4.363 -1.243 -0.317 0.00 0.00 +0.230 C BRANCH 28 29 ATOM 29 O LIG 1 -4.093 -2.012 0.855 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 -5.173 -2.485 1.551 0.00 0.00 +0.121 A ATOM 31 C LIG 1 -4.853 -3.204 2.707 0.00 0.00 +0.045 A ATOM 32 C LIG 1 -5.857 -3.752 3.506 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -7.194 -3.583 3.153 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.521 -2.865 2.003 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -6.513 -2.315 1.203 0.00 0.00 +0.045 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 13