REMARK Name = BDB061263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.552 -1.416 1.953 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -2.564 -0.438 1.903 0.00 0.00 +0.151 A ATOM 3 C LIG 1 -2.996 0.193 3.073 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -4.054 1.206 2.977 0.00 0.00 +0.197 A ATOM 5 C LIG 1 -4.606 1.479 1.645 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -4.119 0.804 0.596 0.00 0.00 +0.139 A ATOM 7 O LIG 1 -4.463 1.796 3.971 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 -2.429 -0.143 4.305 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -1.435 -1.112 4.376 0.00 0.00 +0.092 A ATOM 10 O LIG 1 -3.102 -0.132 0.673 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -1.007 -1.742 3.207 0.00 0.00 +0.128 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -4.629 1.032 -0.768 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -3.733 1.195 -1.835 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -4.202 1.401 -3.134 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -5.569 1.440 -3.375 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -6.478 1.273 -2.337 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -6.008 1.067 -1.036 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -5.982 1.643 -4.658 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -6.953 1.637 -4.678 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 8 20 ATOM 20 O LIG 1 -2.807 0.436 5.487 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -3.508 1.099 5.293 0.00 0.00 +0.292 HD ENDBRANCH 8 20 BRANCH 11 22 ATOM 22 O LIG 1 -0.048 -2.714 3.285 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 0.343 -2.704 4.174 0.00 0.00 +0.292 HD ENDBRANCH 11 22 BRANCH 1 24 ATOM 24 C LIG 1 -1.046 -2.092 0.693 0.00 0.00 +0.127 C BRANCH 24 28 ATOM 25 N LIG 1 1.950 -0.579 -1.997 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 1.386 0.343 -1.000 0.00 0.00 +0.100 C ATOM 27 C LIG 1 0.066 -0.203 -0.403 0.00 0.00 +0.100 C ATOM 28 N LIG 1 0.229 -1.539 0.202 0.00 0.00 -0.296 NA ATOM 29 C LIG 1 0.827 -2.453 -0.793 0.00 0.00 +0.100 C ATOM 30 C LIG 1 2.145 -1.904 -1.389 0.00 0.00 +0.100 C BRANCH 25 31 ATOM 31 C LIG 1 3.136 -0.059 -2.686 0.00 0.00 +0.119 C BRANCH 31 36 ATOM 32 C LIG 1 7.878 1.001 0.547 0.00 0.00 +0.044 C ATOM 33 C LIG 1 6.674 0.738 -0.307 0.00 0.00 -0.050 A ATOM 34 C LIG 1 6.472 -0.523 -0.879 0.00 0.00 +0.003 A ATOM 35 C LIG 1 5.334 -0.779 -1.648 0.00 0.00 +0.005 A ATOM 36 C LIG 1 4.367 0.216 -1.849 0.00 0.00 -0.033 A ATOM 37 C LIG 1 4.570 1.475 -1.267 0.00 0.00 +0.005 A ATOM 38 C LIG 1 5.708 1.731 -0.498 0.00 0.00 +0.003 A ENDBRANCH 31 36 ENDBRANCH 25 31 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 8