REMARK Name = BDB035133 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.234 1.168 -0.964 0.00 0.00 -0.296 NA ATOM 2 C LIG 1 -0.060 1.099 -1.862 0.00 0.00 +0.100 C ATOM 3 C LIG 1 1.046 2.105 -1.482 0.00 0.00 +0.100 C ATOM 4 N LIG 1 1.646 1.841 -0.157 0.00 0.00 -0.292 NA ATOM 5 C LIG 1 0.590 1.388 0.791 0.00 0.00 +0.100 C ATOM 6 C LIG 1 -0.860 1.710 0.358 0.00 0.00 +0.100 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.800 0.905 -0.161 0.00 0.00 +0.101 C ATOM 8 C LIG 1 3.839 1.142 -1.298 0.00 0.00 +0.166 C ATOM 9 N LIG 1 5.080 0.360 -1.148 0.00 0.00 -0.267 NA ATOM 10 C LIG 1 5.518 0.208 0.045 0.00 0.00 +0.120 C ATOM 11 C LIG 1 4.843 0.698 1.270 0.00 0.00 +0.041 C ATOM 12 C LIG 1 3.540 0.993 1.161 0.00 0.00 -0.003 C BRANCH 10 13 ATOM 13 N LIG 1 6.697 -0.458 0.319 0.00 0.00 -0.270 N ATOM 14 H LIG 1 6.970 -0.515 1.287 0.00 0.00 +0.156 HD ATOM 15 C LIG 1 7.571 -1.053 -0.590 0.00 0.00 +0.222 C ATOM 16 O LIG 1 7.383 -1.146 -1.801 0.00 0.00 -0.275 OA BRANCH 15 17 ATOM 17 C LIG 1 8.830 -1.642 0.111 0.00 0.00 +0.086 C ATOM 18 C LIG 1 9.870 -0.639 0.667 0.00 0.00 +0.088 C ATOM 19 C LIG 1 10.711 -0.864 -0.608 0.00 0.00 +0.250 C ATOM 20 F LIG 1 10.529 0.054 -1.581 0.00 0.00 -0.206 F ATOM 21 F LIG 1 12.044 -0.964 -0.407 0.00 0.00 -0.206 F ATOM 22 C LIG 1 9.963 -2.199 -0.790 0.00 0.00 +0.088 C ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 -1.907 -0.134 -0.898 0.00 0.00 +0.121 C BRANCH 23 33 ATOM 24 C LIG 1 -7.905 -0.492 0.109 0.00 0.00 +0.077 C ATOM 25 C LIG 1 -7.231 -1.803 0.509 0.00 0.00 +0.217 C ATOM 26 O LIG 1 -7.817 -2.878 0.611 0.00 0.00 -0.275 OA ATOM 27 N LIG 1 -5.871 -1.775 0.666 0.00 0.00 -0.307 N ATOM 28 H LIG 1 -5.515 -2.684 0.934 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 -5.175 -0.614 1.178 0.00 0.00 +0.121 C ATOM 30 C LIG 1 -5.788 0.733 0.746 0.00 0.00 +0.130 C ATOM 31 N LIG 1 -5.471 1.109 -0.648 0.00 0.00 -0.286 NA ATOM 32 C LIG 1 -4.304 0.754 -1.069 0.00 0.00 +0.110 C ATOM 33 C LIG 1 -3.294 -0.053 -0.334 0.00 0.00 -0.018 C ATOM 34 C LIG 1 -3.752 -0.735 0.730 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -7.308 0.676 0.905 0.00 0.00 +0.041 C BRANCH 24 37 ATOM 36 C LIG 1 -10.149 -1.306 -0.799 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -9.430 -0.540 0.306 0.00 0.00 +0.009 C ENDBRANCH 24 37 ENDBRANCH 23 33 ENDBRANCH 1 23 TORSDOF 6