REMARK Name = BDB053730 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.880 0.126 0.716 0.00 0.00 +0.125 A ATOM 2 C LIG 1 0.796 -0.690 1.863 0.00 0.00 +0.105 A ATOM 3 C LIG 1 -0.460 -1.298 1.880 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -0.757 -2.246 2.875 0.00 0.00 +0.030 A ATOM 5 C LIG 1 0.216 -2.478 3.843 0.00 0.00 +0.022 A ATOM 6 C LIG 1 1.415 -1.794 3.767 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -1.165 -0.828 0.770 0.00 0.00 -0.278 N ATOM 8 N LIG 1 1.748 -0.915 2.804 0.00 0.00 -0.253 NA ATOM 9 C LIG 1 -0.338 0.046 0.064 0.00 0.00 +0.221 A ENDROOT BRANCH 1 11 ATOM 10 O LIG 1 1.922 2.188 0.480 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 1.981 0.973 0.306 0.00 0.00 +0.254 C ATOM 12 N LIG 1 3.061 0.359 -0.320 0.00 0.00 -0.295 N ATOM 13 C LIG 1 3.167 -1.077 -0.601 0.00 0.00 +0.123 C ATOM 14 C LIG 1 4.623 -1.511 -0.840 0.00 0.00 +0.100 C ATOM 15 N LIG 1 5.306 -0.786 -1.924 0.00 0.00 -0.313 NA ATOM 16 H LIG 1 6.307 -0.772 -1.727 0.00 0.00 +0.122 HD ATOM 17 C LIG 1 4.810 0.593 -2.075 0.00 0.00 +0.100 C ATOM 18 C LIG 1 4.150 1.195 -0.823 0.00 0.00 +0.123 C ENDBRANCH 1 11 BRANCH 7 19 ATOM 19 C LIG 1 -2.506 -1.179 0.418 0.00 0.00 +0.050 A ATOM 20 C LIG 1 -3.479 -1.338 1.414 0.00 0.00 +0.026 A ATOM 21 C LIG 1 -4.792 -1.667 1.066 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -5.140 -1.837 -0.272 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -4.178 -1.674 -1.267 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -2.865 -1.345 -0.926 0.00 0.00 +0.026 A ENDBRANCH 7 19 BRANCH 9 25 ATOM 25 O LIG 1 -0.731 0.675 -1.049 0.00 0.00 -0.436 OA BRANCH 25 26 ATOM 26 C LIG 1 -1.483 1.828 -0.982 0.00 0.00 +0.168 A ATOM 27 C LIG 1 -2.252 2.134 -2.105 0.00 0.00 +0.200 A ATOM 28 F LIG 1 -2.247 1.315 -3.168 0.00 0.00 -0.199 F ATOM 29 C LIG 1 -3.039 3.279 -2.123 0.00 0.00 +0.162 A ATOM 30 F LIG 1 -3.786 3.566 -3.198 0.00 0.00 -0.202 F ATOM 31 C LIG 1 -3.063 4.140 -1.030 0.00 0.00 +0.041 A ATOM 32 C LIG 1 -2.285 3.849 0.091 0.00 0.00 +0.007 A ATOM 33 C LIG 1 -1.494 2.696 0.116 0.00 0.00 +0.049 A ENDBRANCH 25 26 ENDBRANCH 9 25 TORSDOF 4