REMARK Name = BDB025691 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.239 -1.198 0.142 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.573 0.044 0.007 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.826 0.109 -0.004 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.609 -1.054 0.119 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.927 -2.274 0.247 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.615 -3.419 0.381 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.466 -2.354 0.259 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.071 -1.401 3.168 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.491 -1.851 1.819 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.472 -1.721 0.714 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.674 -2.533 0.909 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.858 -2.010 -0.614 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.192 -0.831 -1.537 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.322 -2.264 -0.592 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.648 -1.214 0.184 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.190 -1.027 1.556 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.077 -0.985 0.108 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.803 -0.017 0.774 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.152 0.071 0.780 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.844 -0.846 0.086 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.236 -1.830 -0.595 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.885 -1.878 -0.567 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.223 -0.798 0.095 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.891 0.448 0.487 0.00 0.00 +0.136 C ATOM 25 C LIG 1 8.814 0.927 -0.645 0.00 0.00 +0.179 C ATOM 26 O LIG 1 9.824 -0.026 -1.018 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.434 -1.390 -0.787 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.920 -1.623 -0.896 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.403 1.169 -0.154 0.00 0.00 -0.279 N ATOM 30 H LIG 1 -2.398 0.942 -0.170 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.053 2.493 -0.204 0.00 0.00 +0.269 C ATOM 32 O LIG 1 0.049 3.001 -0.085 0.00 0.00 -0.268 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.260 3.400 -0.426 0.00 0.00 +0.158 A ATOM 34 C LIG 1 -2.186 4.452 -1.465 0.00 0.00 +0.092 A ATOM 35 C LIG 1 -3.284 5.208 -1.613 0.00 0.00 +0.086 A ATOM 36 C LIG 1 -4.477 4.990 -0.777 0.00 0.00 +0.265 A ATOM 37 O LIG 1 -5.471 5.691 -0.912 0.00 0.00 -0.266 OA ATOM 38 N LIG 1 -4.393 3.960 0.121 0.00 0.00 -0.243 N ATOM 39 H LIG 1 -5.205 3.780 0.705 0.00 0.00 +0.192 HD ATOM 40 N LIG 1 -3.304 3.159 0.314 0.00 0.00 -0.166 NA BRANCH 34 41 ATOM 41 C LIG 1 -0.973 4.570 -2.307 0.00 0.00 +0.420 C ATOM 42 F LIG 1 0.069 5.131 -1.653 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -0.573 3.371 -2.799 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.202 5.358 -3.393 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6