REMARK Name = BDB027277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.692 0.063 0.835 0.00 0.00 +0.053 A ATOM 2 C LIG 1 0.440 0.757 1.286 0.00 0.00 -0.003 A ATOM 3 C LIG 1 1.691 0.097 1.276 0.00 0.00 +0.035 A ATOM 4 C LIG 1 1.812 -1.214 0.819 0.00 0.00 +0.071 A ATOM 5 N LIG 1 0.731 -1.901 0.399 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.461 -1.254 0.410 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.100 -1.935 0.757 0.00 0.00 +0.003 A ATOM 8 C LIG 1 4.317 -1.273 0.534 0.00 0.00 +0.052 A ATOM 9 C LIG 1 5.518 -1.982 0.483 0.00 0.00 +0.165 A ATOM 10 F LIG 1 6.651 -1.295 0.270 0.00 0.00 -0.202 F ATOM 11 C LIG 1 5.559 -3.368 0.644 0.00 0.00 +0.155 A ATOM 12 C LIG 1 4.360 -4.044 0.856 0.00 0.00 +0.049 A ATOM 13 C LIG 1 3.151 -3.334 0.908 0.00 0.00 +0.014 A BRANCH 11 14 ATOM 14 O LIG 1 6.799 -3.942 0.575 0.00 0.00 -0.492 OA ATOM 15 C LIG 1 6.866 -5.356 0.697 0.00 0.00 +0.277 C ENDBRANCH 11 14 ENDBRANCH 4 7 BRANCH 1 18 ATOM 16 C LIG 1 -4.083 0.551 -0.619 0.00 0.00 +0.074 C ATOM 17 C LIG 1 -2.549 0.854 -0.550 0.00 0.00 +0.133 C ATOM 18 N LIG 1 -1.980 0.568 0.780 0.00 0.00 -0.326 N ATOM 19 C LIG 1 -2.640 1.118 1.951 0.00 0.00 +0.105 C ATOM 20 C LIG 1 -4.109 0.710 1.932 0.00 0.00 +0.021 C ATOM 21 C LIG 1 -4.778 1.147 0.627 0.00 0.00 +0.031 C BRANCH 16 23 ATOM 22 N LIG 1 -3.442 -1.695 -1.404 0.00 0.00 -0.093 NA ATOM 23 C LIG 1 -4.354 -0.976 -0.813 0.00 0.00 +0.076 C ATOM 24 C LIG 1 -5.698 -1.530 -0.372 0.00 0.00 +0.066 C BRANCH 22 26 ATOM 25 C LIG 1 -2.778 -3.739 -2.199 0.00 0.00 +0.313 C ATOM 26 O LIG 1 -3.809 -3.041 -1.510 0.00 0.00 -0.397 OA ENDBRANCH 22 26 ENDBRANCH 16 23 BRANCH 16 27 ATOM 27 N LIG 1 -4.691 1.198 -1.814 0.00 0.00 -0.319 NA ATOM 28 H LIG 1 -4.258 0.795 -2.650 0.00 0.00 +0.119 HD ATOM 29 H LIG 1 -4.449 2.188 -1.833 0.00 0.00 +0.119 HD ENDBRANCH 16 27 ENDBRANCH 1 18 BRANCH 2 30 ATOM 30 C LIG 1 0.443 2.205 1.710 0.00 0.00 +0.161 C BRANCH 30 31 ATOM 31 N LIG 1 0.513 3.108 0.576 0.00 0.00 -0.310 N ATOM 32 C LIG 1 1.630 3.402 -0.159 0.00 0.00 +0.166 A ATOM 33 C LIG 1 1.201 4.329 -1.096 0.00 0.00 +0.147 A ATOM 34 C LIG 1 2.163 4.792 -2.010 0.00 0.00 +0.147 A ATOM 35 N LIG 1 3.430 4.332 -1.904 0.00 0.00 -0.219 NA ATOM 36 C LIG 1 3.705 3.429 -0.938 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -0.133 4.636 -0.912 0.00 0.00 -0.231 NA ATOM 38 N LIG 1 2.872 2.909 -0.013 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 -0.505 3.897 0.112 0.00 0.00 +0.202 A BRANCH 34 40 ATOM 40 N LIG 1 1.883 5.722 -3.003 0.00 0.00 -0.341 N ATOM 41 H LIG 1 2.714 6.206 -3.316 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 1.054 6.275 -2.817 0.00 0.00 +0.144 HD ENDBRANCH 34 40 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 9