REMARK Name = BDB065071 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.909 -2.046 -2.344 0.00 0.00 -0.288 N ATOM 2 C LIG 1 -1.670 -2.073 -1.144 0.00 0.00 +0.148 A ATOM 3 C LIG 1 -1.940 -3.298 -0.554 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -2.664 -3.252 0.619 0.00 0.00 +0.124 A ATOM 5 N LIG 1 -3.093 -2.111 1.189 0.00 0.00 -0.235 NA ATOM 6 C LIG 1 -2.777 -0.975 0.542 0.00 0.00 +0.169 A ATOM 7 C LIG 1 -1.479 -4.541 -1.151 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -0.768 -4.490 -2.281 0.00 0.00 +0.071 A ATOM 9 N LIG 1 -2.103 -0.910 -0.619 0.00 0.00 -0.209 NA ATOM 10 C LIG 1 -0.432 -3.200 -2.938 0.00 0.00 +0.253 A ATOM 11 O LIG 1 0.245 -3.234 -3.963 0.00 0.00 -0.268 OA ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -3.207 0.278 1.126 0.00 0.00 +0.102 A ATOM 13 C LIG 1 -4.488 0.793 0.933 0.00 0.00 +0.062 A ATOM 14 N LIG 1 -4.857 1.986 1.471 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 -3.948 2.645 2.199 0.00 0.00 +0.225 A ATOM 16 N LIG 1 -2.700 2.243 2.442 0.00 0.00 -0.201 NA ATOM 17 C LIG 1 -2.356 1.061 1.893 0.00 0.00 +0.229 A BRANCH 13 18 ATOM 18 C LIG 1 -5.523 0.074 0.083 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -6.990 0.145 0.446 0.00 0.00 +0.010 C ATOM 20 C LIG 1 -6.242 -1.139 0.630 0.00 0.00 +0.010 C ENDBRANCH 13 18 BRANCH 17 21 ATOM 21 O LIG 1 -1.071 0.588 2.104 0.00 0.00 -0.479 OA ATOM 22 C LIG 1 -0.237 1.491 2.821 0.00 0.00 +0.279 C ENDBRANCH 17 21 ENDBRANCH 6 12 BRANCH 1 23 ATOM 23 C LIG 1 -0.565 -0.752 -2.925 0.00 0.00 +0.162 C BRANCH 23 27 ATOM 24 C LIG 1 2.886 1.020 -0.992 0.00 0.00 +0.017 A ATOM 25 C LIG 1 1.601 1.505 -0.733 0.00 0.00 +0.012 A ATOM 26 C LIG 1 0.488 0.937 -1.359 0.00 0.00 +0.006 A ATOM 27 C LIG 1 0.643 -0.118 -2.268 0.00 0.00 -0.028 A ATOM 28 C LIG 1 1.936 -0.582 -2.550 0.00 0.00 +0.006 A ATOM 29 C LIG 1 3.048 -0.013 -1.922 0.00 0.00 +0.012 A BRANCH 24 31 ATOM 30 N LIG 1 4.875 0.948 0.561 0.00 0.00 -0.330 N ATOM 31 C LIG 1 4.030 1.613 -0.303 0.00 0.00 +0.141 A ATOM 32 N LIG 1 4.370 2.888 -0.369 0.00 0.00 -0.224 NA ATOM 33 C LIG 1 5.492 3.054 0.428 0.00 0.00 +0.162 A ATOM 34 C LIG 1 5.812 1.842 1.011 0.00 0.00 +0.120 A BRANCH 33 35 ATOM 35 C LIG 1 6.177 4.380 0.584 0.00 0.00 +0.436 C ATOM 36 F LIG 1 5.369 5.316 1.149 0.00 0.00 -0.164 F ATOM 37 F LIG 1 7.276 4.289 1.387 0.00 0.00 -0.164 F ATOM 38 F LIG 1 6.610 4.887 -0.600 0.00 0.00 -0.164 F ENDBRANCH 33 35 BRANCH 30 40 ATOM 39 C LIG 1 3.739 -0.653 2.064 0.00 0.00 +0.027 C ATOM 40 C LIG 1 4.792 -0.436 0.990 0.00 0.00 +0.120 C ENDBRANCH 30 40 ENDBRANCH 24 31 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 8