REMARK Name = BDB043364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.230 0.401 0.622 0.00 0.00 +0.242 C ATOM 2 N LIG 1 -1.048 -0.613 1.085 0.00 0.00 -0.308 N ATOM 3 H LIG 1 -1.032 -0.816 2.084 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.436 0.959 -0.456 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 0.912 0.789 1.582 0.00 0.00 +0.202 C ATOM 6 C LIG 1 0.349 1.723 2.649 0.00 0.00 +0.048 C BRANCH 5 7 ATOM 7 O LIG 1 1.952 1.486 0.899 0.00 0.00 -0.355 OA BRANCH 7 8 ATOM 8 C LIG 1 3.095 0.666 0.606 0.00 0.00 +0.209 C BRANCH 8 10 ATOM 9 N LIG 1 4.954 -0.550 1.858 0.00 0.00 -0.300 N ATOM 10 C LIG 1 3.955 0.428 1.878 0.00 0.00 +0.245 C ATOM 11 O LIG 1 3.750 1.093 2.898 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 5.150 -1.550 0.801 0.00 0.00 +0.104 C ATOM 13 C LIG 1 6.537 -1.505 0.180 0.00 0.00 +0.024 C ENDBRANCH 9 12 BRANCH 9 15 ATOM 14 C LIG 1 6.886 0.386 3.100 0.00 0.00 +0.024 C ATOM 15 C LIG 1 5.790 -0.672 3.061 0.00 0.00 +0.104 C ENDBRANCH 9 15 ENDBRANCH 8 10 BRANCH 8 16 ATOM 16 C LIG 1 3.945 1.411 -0.444 0.00 0.00 +0.076 C BRANCH 16 17 ATOM 17 C LIG 1 3.631 0.974 -1.862 0.00 0.00 -0.044 A ATOM 18 C LIG 1 4.597 0.325 -2.643 0.00 0.00 +0.004 A ATOM 19 C LIG 1 4.292 -0.108 -3.934 0.00 0.00 +0.000 A ATOM 20 C LIG 1 3.023 0.115 -4.464 0.00 0.00 +0.000 A ATOM 21 C LIG 1 2.060 0.774 -3.705 0.00 0.00 +0.000 A ATOM 22 C LIG 1 2.365 1.210 -2.415 0.00 0.00 +0.004 A ENDBRANCH 16 17 ENDBRANCH 8 16 ENDBRANCH 7 8 ENDBRANCH 5 7 ENDBRANCH 1 5 BRANCH 2 23 ATOM 23 C LIG 1 -2.319 -0.925 0.413 0.00 0.00 +0.104 C BRANCH 23 24 ATOM 24 C LIG 1 -3.463 -0.069 1.041 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 O LIG 1 -3.479 -0.318 2.461 0.00 0.00 -0.387 OA ATOM 26 H LIG 1 -4.356 -0.055 2.788 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 -3.326 1.454 0.760 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 O LIG 1 -3.143 1.678 -0.636 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 -2.180 1.567 -0.818 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -4.575 2.232 1.219 0.00 0.00 +0.037 C BRANCH 30 31 ATOM 31 C LIG 1 -4.454 3.775 1.241 0.00 0.00 -0.015 C ATOM 32 C LIG 1 -3.402 4.261 2.239 0.00 0.00 +0.007 C ATOM 33 C LIG 1 -4.206 4.394 -0.135 0.00 0.00 +0.007 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 24 27 ENDBRANCH 23 24 BRANCH 23 34 ATOM 34 C LIG 1 -2.583 -2.446 0.533 0.00 0.00 +0.028 C BRANCH 34 35 ATOM 35 C LIG 1 -3.220 -3.123 -0.705 0.00 0.00 -0.009 C ATOM 36 C LIG 1 -2.245 -3.189 -1.896 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -2.868 -3.898 -3.100 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -4.196 -3.261 -3.506 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -5.168 -3.219 -2.329 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -4.556 -2.494 -1.129 0.00 0.00 +0.003 C ENDBRANCH 34 35 ENDBRANCH 23 34 ENDBRANCH 2 23 TORSDOF 17