REMARK Name = BDB038982 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 7.111 -0.701 0.214 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.927 -1.360 -0.064 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.700 -0.571 -0.038 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.429 -1.381 -0.065 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.444 -2.790 -0.178 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.248 -3.519 -0.175 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.006 -2.882 -0.095 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.998 -1.482 -0.014 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.024 -0.533 0.068 0.00 0.00 -0.324 N ATOM 10 C LIG 1 0.581 0.714 0.168 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.895 0.583 0.111 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.763 -3.520 -0.236 0.00 0.00 +0.054 C ATOM 13 C LIG 1 2.172 -0.747 0.008 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.878 -2.629 -0.778 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.174 0.454 0.622 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.009 2.097 0.314 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.015 2.298 1.440 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -1.248 3.792 1.689 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -1.463 4.613 0.404 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -1.581 3.746 -0.858 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.455 2.718 -1.016 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -0.391 5.675 0.244 0.00 0.00 +0.308 C ATOM 23 O LIG 1 0.409 5.788 -0.667 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -0.410 6.577 1.246 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 0.318 7.195 1.020 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 9.448 -0.828 0.272 0.00 0.00 +0.282 C ATOM 27 O LIG 1 8.208 -1.475 -0.012 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.436 -0.934 0.067 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -1.989 -1.067 1.489 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.331 -0.158 -0.913 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -3.656 -0.837 -1.190 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -4.824 -0.402 -0.540 0.00 0.00 +0.011 A ATOM 33 C LIG 1 -6.013 -1.056 -0.813 0.00 0.00 -0.002 A ATOM 34 C LIG 1 -7.359 -0.853 -0.233 0.00 0.00 +0.080 C ATOM 35 C LIG 1 -8.174 -1.698 -1.214 0.00 0.00 +0.234 C ATOM 36 O LIG 1 -7.303 -2.669 -1.841 0.00 0.00 -0.491 OA ATOM 37 C LIG 1 -6.055 -2.122 -1.697 0.00 0.00 +0.124 A ATOM 38 C LIG 1 -4.926 -2.579 -2.342 0.00 0.00 +0.046 A ATOM 39 C LIG 1 -3.718 -1.925 -2.089 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7