REMARK Name = BDB034535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.796 -0.261 -0.524 0.00 0.00 +0.098 C ENDROOT BRANCH 1 3 ATOM 2 O LIG 1 -0.695 2.134 -0.352 0.00 0.00 -0.276 OA ATOM 3 C LIG 1 -0.095 1.064 -0.256 0.00 0.00 +0.216 C ATOM 4 N LIG 1 1.242 0.995 0.099 0.00 0.00 -0.298 N ATOM 5 C LIG 1 1.989 2.239 0.318 0.00 0.00 +0.126 C ATOM 6 C LIG 1 3.440 2.170 -0.193 0.00 0.00 +0.127 C ATOM 7 N LIG 1 4.135 0.973 0.289 0.00 0.00 -0.297 N ATOM 8 C LIG 1 3.360 -0.066 0.958 0.00 0.00 +0.127 C ATOM 9 C LIG 1 2.000 -0.253 0.260 0.00 0.00 +0.126 C BRANCH 7 10 ATOM 10 C LIG 1 5.483 1.066 0.559 0.00 0.00 +0.218 A ATOM 11 N LIG 1 6.181 2.091 0.042 0.00 0.00 -0.222 NA ATOM 12 C LIG 1 7.503 2.153 0.301 0.00 0.00 +0.128 A ATOM 13 C LIG 1 8.171 1.233 1.067 0.00 0.00 +0.091 A ATOM 14 C LIG 1 7.388 0.216 1.548 0.00 0.00 +0.128 A ATOM 15 N LIG 1 6.063 0.116 1.312 0.00 0.00 -0.222 NA BRANCH 13 16 ATOM 16 C LIG 1 9.629 1.308 1.319 0.00 0.00 +0.420 C ATOM 17 F LIG 1 10.353 0.642 0.379 0.00 0.00 -0.166 F ATOM 18 F LIG 1 10.107 2.583 1.324 0.00 0.00 -0.166 F ATOM 19 F LIG 1 9.992 0.772 2.517 0.00 0.00 -0.166 F ENDBRANCH 13 16 ENDBRANCH 7 10 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 C LIG 1 -2.237 -0.058 -1.006 0.00 0.00 +0.032 C BRANCH 20 21 ATOM 21 C LIG 1 -2.970 -1.388 -1.239 0.00 0.00 +0.078 C ATOM 22 N LIG 1 -4.396 -1.142 -1.478 0.00 0.00 -0.308 N ATOM 23 C LIG 1 -4.726 -1.340 -2.898 0.00 0.00 +0.144 C ATOM 24 C LIG 1 -3.382 -1.507 -3.594 0.00 0.00 +0.185 C ATOM 25 F LIG 1 -3.470 -2.354 -4.646 0.00 0.00 -0.244 F ATOM 26 C LIG 1 -2.513 -2.114 -2.510 0.00 0.00 +0.061 C BRANCH 22 27 ATOM 27 C LIG 1 -5.388 -0.961 -0.530 0.00 0.00 +0.143 A ATOM 28 N LIG 1 -6.628 -0.865 -0.939 0.00 0.00 -0.156 NA ATOM 29 N LIG 1 -7.611 -0.688 -0.015 0.00 0.00 -0.241 N ATOM 30 H LIG 1 -8.558 -0.616 -0.372 0.00 0.00 +0.192 HD ATOM 31 C LIG 1 -7.438 -0.597 1.340 0.00 0.00 +0.277 A ATOM 32 O LIG 1 -8.381 -0.442 2.106 0.00 0.00 -0.266 OA ATOM 33 C LIG 1 -6.053 -0.701 1.809 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -5.066 -0.875 0.921 0.00 0.00 +0.063 A BRANCH 33 35 ATOM 35 C LIG 1 -5.875 -0.600 3.270 0.00 0.00 +0.423 C ATOM 36 F LIG 1 -4.558 -0.711 3.615 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -6.512 -1.585 3.951 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -6.287 0.588 3.777 0.00 0.00 -0.166 F ENDBRANCH 33 35 ENDBRANCH 22 27 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7