REMARK Name = BDB016735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.752 1.267 -0.311 0.00 0.00 +0.093 A ATOM 2 C LIG 1 -2.008 1.075 0.343 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -2.905 1.863 -0.365 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -4.264 1.956 -0.044 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -4.759 1.192 1.030 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -3.851 0.411 1.766 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -2.165 2.453 -1.352 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -2.488 3.098 -2.063 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -2.487 0.338 1.440 0.00 0.00 +0.012 A ATOM 10 N LIG 1 -0.869 2.106 -1.352 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -6.228 1.234 1.389 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -7.305 0.749 0.437 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -7.071 0.199 -0.943 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -8.121 0.642 -1.761 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -8.224 0.327 -3.098 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -7.213 -0.469 -3.640 0.00 0.00 +0.047 A ATOM 17 C LIG 1 -6.141 -0.929 -2.851 0.00 0.00 +0.120 A ATOM 18 N LIG 1 -9.005 1.418 -1.008 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -9.850 1.847 -1.353 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -6.080 -0.607 -1.490 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -8.597 1.523 0.309 0.00 0.00 +0.228 C ATOM 22 O LIG 1 -9.152 2.122 1.214 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 -6.991 -0.046 1.672 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 O LIG 1 -5.224 -1.686 -3.529 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 -4.024 -2.011 -2.835 0.00 0.00 +0.277 C ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 27 ATOM 26 C LIG 1 1.655 0.809 -0.550 0.00 0.00 +0.010 C ATOM 27 C LIG 1 0.480 0.645 0.083 0.00 0.00 +0.031 C BRANCH 26 32 ATOM 28 C LIG 1 5.385 -1.033 0.537 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.015 -0.854 -0.795 0.00 0.00 +0.131 A ATOM 30 F LIG 1 5.823 -1.274 -1.780 0.00 0.00 -0.205 F ATOM 31 C LIG 1 3.801 -0.260 -1.143 0.00 0.00 +0.046 A ATOM 32 C LIG 1 2.911 0.163 -0.150 0.00 0.00 -0.020 A ATOM 33 C LIG 1 3.276 -0.002 1.190 0.00 0.00 +0.046 A ATOM 34 C LIG 1 4.495 -0.598 1.518 0.00 0.00 +0.131 A ATOM 35 F LIG 1 4.805 -0.744 2.814 0.00 0.00 -0.205 F BRANCH 28 36 ATOM 36 C LIG 1 6.701 -1.666 0.900 0.00 0.00 +0.125 C BRANCH 36 37 ATOM 37 N LIG 1 7.866 -0.786 0.685 0.00 0.00 -0.298 NA BRANCH 37 39 ATOM 38 C LIG 1 8.159 0.069 3.073 0.00 0.00 +0.020 C ATOM 39 C LIG 1 7.905 0.369 1.598 0.00 0.00 +0.081 C ENDBRANCH 37 39 BRANCH 37 40 ATOM 40 C LIG 1 9.103 -1.581 0.667 0.00 0.00 +0.081 C ATOM 41 C LIG 1 10.342 -0.786 0.268 0.00 0.00 +0.020 C ENDBRANCH 37 40 ENDBRANCH 36 37 ENDBRANCH 28 36 ENDBRANCH 26 32 ENDBRANCH 1 27 TORSDOF 8