REMARK Name = BDB038952 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.801 0.020 -0.680 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.572 -0.533 -0.994 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.335 0.052 -0.484 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.072 -0.533 -1.064 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.099 -1.576 -2.018 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.911 -2.081 -2.565 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.661 -1.598 -2.167 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.647 -0.582 -1.204 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.373 0.106 -0.574 0.00 0.00 -0.327 N ATOM 10 C LIG 1 0.199 1.060 0.245 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.514 0.939 0.236 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.428 -2.108 -2.498 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.810 -0.050 -0.665 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.518 -1.913 -1.448 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.877 -0.521 -0.913 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.540 2.103 1.045 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.194 3.511 0.518 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -0.421 4.576 1.583 0.00 0.00 +0.001 C ATOM 19 C LIG 1 0.475 4.358 2.802 0.00 0.00 +0.000 C ATOM 20 C LIG 1 0.843 2.892 3.038 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -0.251 1.946 2.553 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 7.933 1.846 0.255 0.00 0.00 +0.282 C ATOM 23 O LIG 1 6.687 1.236 -0.079 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -1.788 -0.177 -0.772 0.00 0.00 +0.132 C BRANCH 24 25 ATOM 25 C LIG 1 -2.251 -1.478 -0.070 0.00 0.00 +0.050 C BRANCH 25 26 ATOM 26 C LIG 1 -3.614 -1.978 -0.535 0.00 0.00 -0.036 A ATOM 27 C LIG 1 -4.686 -1.115 -0.816 0.00 0.00 +0.049 A ATOM 28 C LIG 1 -5.931 -1.603 -1.242 0.00 0.00 +0.123 A ATOM 29 C LIG 1 -6.117 -2.974 -1.386 0.00 0.00 +0.084 A ATOM 30 C LIG 1 -5.064 -3.836 -1.101 0.00 0.00 +0.127 A ATOM 31 F LIG 1 -5.242 -5.157 -1.235 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -3.827 -3.357 -0.679 0.00 0.00 +0.042 A BRANCH 28 33 ATOM 33 O LIG 1 -6.868 -0.637 -1.484 0.00 0.00 -0.495 OA ATOM 34 C LIG 1 -8.166 -1.077 -1.864 0.00 0.00 +0.277 C ENDBRANCH 28 33 ENDBRANCH 25 26 BRANCH 25 35 ATOM 35 C LIG 1 -2.136 -1.470 1.468 0.00 0.00 +0.130 C BRANCH 35 36 ATOM 36 C LIG 1 -2.983 -0.444 2.182 0.00 0.00 +0.305 C ATOM 37 O LIG 1 -3.556 0.495 1.655 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -3.009 -0.637 3.521 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 -2.493 -1.407 3.829 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 25 35 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 9