REMARK Name = BDB035916 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.245 -0.197 0.444 0.00 0.00 -0.326 N ATOM 2 C LIG 1 -1.275 -0.913 -0.401 0.00 0.00 +0.126 C ATOM 3 C LIG 1 -0.463 -1.973 0.406 0.00 0.00 +0.100 C ATOM 4 N LIG 1 0.061 -1.481 1.705 0.00 0.00 -0.290 NA ATOM 5 C LIG 1 -0.255 -0.080 1.971 0.00 0.00 +0.104 C ATOM 6 C LIG 1 -1.761 0.215 1.778 0.00 0.00 +0.120 C ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -5.546 1.732 -1.242 0.00 0.00 +0.125 A ATOM 8 N LIG 1 -4.584 1.265 -2.067 0.00 0.00 -0.249 NA ATOM 9 C LIG 1 -3.527 0.646 -1.483 0.00 0.00 +0.134 A ATOM 10 C LIG 1 -3.338 0.459 -0.108 0.00 0.00 +0.048 A ATOM 11 C LIG 1 -4.372 0.960 0.695 0.00 0.00 +0.027 A ATOM 12 C LIG 1 -5.483 1.601 0.138 0.00 0.00 +0.035 A BRANCH 7 16 ATOM 13 C LIG 1 -8.238 4.329 -1.841 0.00 0.00 +0.128 C ATOM 14 N LIG 1 -7.210 3.525 -1.229 0.00 0.00 -0.313 N ATOM 15 H LIG 1 -6.620 3.966 -0.536 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 -6.716 2.409 -1.892 0.00 0.00 +0.262 C ATOM 17 O LIG 1 -7.184 2.001 -2.949 0.00 0.00 -0.269 OA ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 -1.341 -3.224 0.650 0.00 0.00 +0.179 C BRANCH 18 19 ATOM 19 O LIG 1 -0.509 -4.339 0.999 0.00 0.00 -0.381 OA ATOM 20 C LIG 1 -1.285 -5.490 1.305 0.00 0.00 +0.194 C ENDBRANCH 18 19 ENDBRANCH 3 18 BRANCH 4 21 ATOM 21 C LIG 1 1.415 -1.910 2.049 0.00 0.00 +0.121 C BRANCH 21 22 ATOM 22 C LIG 1 2.535 -1.316 1.232 0.00 0.00 -0.015 A ATOM 23 C LIG 1 3.093 -0.072 1.530 0.00 0.00 +0.012 A ATOM 24 C LIG 1 4.134 0.444 0.745 0.00 0.00 -0.014 A ATOM 25 C LIG 1 4.728 1.774 1.076 0.00 0.00 +0.116 C ATOM 26 C LIG 1 5.847 2.225 0.172 0.00 0.00 +0.172 C ATOM 27 C LIG 1 6.323 1.346 -0.933 0.00 0.00 +0.102 C ATOM 28 C LIG 1 5.692 0.176 -1.191 0.00 0.00 -0.010 C ATOM 29 C LIG 1 6.029 -0.726 -2.356 0.00 0.00 +0.046 C ATOM 30 O LIG 1 6.351 3.334 0.350 0.00 0.00 -0.292 OA ATOM 31 C LIG 1 4.591 -0.307 -0.329 0.00 0.00 +0.071 A ATOM 32 N LIG 1 4.076 -1.521 -0.624 0.00 0.00 -0.255 NA ATOM 33 C LIG 1 3.075 -1.997 0.152 0.00 0.00 +0.116 A BRANCH 27 34 ATOM 34 C LIG 1 7.507 1.931 -1.635 0.00 0.00 +0.421 C ATOM 35 F LIG 1 8.494 2.299 -0.776 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.176 3.021 -2.373 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.106 1.065 -2.497 0.00 0.00 -0.166 F ENDBRANCH 27 34 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 7