REMARK Name = BDB016767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.597 1.737 -0.810 0.00 0.00 -0.041 A ATOM 2 C LIG 1 5.135 1.841 -2.135 0.00 0.00 +0.031 A ATOM 3 C LIG 1 3.772 1.645 -2.391 0.00 0.00 +0.067 A ATOM 4 C LIG 1 2.841 1.353 -1.401 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.597 1.218 -2.095 0.00 0.00 +0.093 A ATOM 6 N LIG 1 1.745 1.458 -3.407 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 3.293 1.284 -0.070 0.00 0.00 +0.012 A ATOM 8 N LIG 1 3.056 1.695 -3.553 0.00 0.00 -0.276 N ATOM 9 H LIG 1 3.404 1.896 -4.484 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 4.657 1.480 0.202 0.00 0.00 +0.005 A ENDROOT BRANCH 1 14 ATOM 11 O LIG 1 9.511 2.207 1.329 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 8.889 1.163 1.224 0.00 0.00 +0.228 C ATOM 13 C LIG 1 7.910 0.837 0.119 0.00 0.00 +0.081 C ATOM 14 C LIG 1 7.055 1.941 -0.470 0.00 0.00 +0.040 C ATOM 15 C LIG 1 8.146 1.286 -1.294 0.00 0.00 +0.031 C ATOM 16 C LIG 1 7.454 -0.559 0.437 0.00 0.00 -0.011 A ATOM 17 C LIG 1 8.099 -0.960 1.619 0.00 0.00 +0.038 A ATOM 18 C LIG 1 7.916 -2.195 2.206 0.00 0.00 +0.023 A ATOM 19 C LIG 1 7.041 -3.078 1.572 0.00 0.00 +0.002 A ATOM 20 C LIG 1 6.388 -2.709 0.383 0.00 0.00 +0.000 A ATOM 21 C LIG 1 6.596 -1.449 -0.192 0.00 0.00 +0.006 A ATOM 22 N LIG 1 8.933 0.067 2.066 0.00 0.00 -0.284 N ATOM 23 H LIG 1 9.521 0.031 2.884 0.00 0.00 +0.155 HD ENDBRANCH 1 14 BRANCH 5 24 ATOM 24 C LIG 1 0.311 0.906 -1.545 0.00 0.00 +0.031 C ATOM 25 C LIG 1 0.064 0.131 -0.475 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 -1.284 -0.165 0.027 0.00 0.00 -0.025 A ATOM 27 C LIG 1 -2.359 -0.437 -0.828 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -3.626 -0.745 -0.314 0.00 0.00 +0.046 A ATOM 29 C LIG 1 -3.832 -0.797 1.063 0.00 0.00 +0.121 A ATOM 30 C LIG 1 -2.759 -0.538 1.918 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -1.494 -0.232 1.408 0.00 0.00 +0.011 A BRANCH 29 32 ATOM 32 O LIG 1 -5.008 -1.076 1.700 0.00 0.00 -0.491 OA BRANCH 32 33 ATOM 33 C LIG 1 -6.144 -1.448 0.915 0.00 0.00 +0.244 C BRANCH 33 34 ATOM 34 C LIG 1 -6.938 -0.204 0.476 0.00 0.00 +0.125 C BRANCH 34 35 ATOM 35 N LIG 1 -8.089 -0.505 -0.394 0.00 0.00 -0.295 NA ATOM 36 C LIG 1 -9.099 -1.342 0.293 0.00 0.00 +0.112 C ATOM 37 C LIG 1 -10.500 -1.172 -0.314 0.00 0.00 +0.175 C ATOM 38 O LIG 1 -11.006 0.162 -0.165 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 -9.973 1.157 -0.149 0.00 0.00 +0.175 C ATOM 40 C LIG 1 -8.713 0.732 -0.918 0.00 0.00 +0.112 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 7