REMARK Name = BDB060895 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.613 -0.485 -0.927 0.00 0.00 +0.058 C ATOM 2 C LIG 1 -2.087 -1.903 -0.664 0.00 0.00 +0.030 C ATOM 3 C LIG 1 -0.640 -2.042 -1.126 0.00 0.00 +0.109 C ATOM 4 N LIG 1 0.195 -0.908 -0.745 0.00 0.00 -0.297 N ATOM 5 C LIG 1 1.521 -0.924 -1.173 0.00 0.00 +0.249 C ATOM 6 O LIG 1 2.012 -1.867 -1.792 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -0.385 0.033 0.211 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -1.692 0.601 -0.332 0.00 0.00 +0.030 C ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 -7.557 0.061 -0.749 0.00 0.00 +0.241 A ATOM 10 C LIG 1 -6.217 -0.110 -0.440 0.00 0.00 +0.129 A ATOM 11 C LIG 1 -5.754 -0.243 0.865 0.00 0.00 +0.108 A ATOM 12 N LIG 1 -4.381 -0.370 0.861 0.00 0.00 -0.231 NA ATOM 13 C LIG 1 -4.010 -0.348 -0.403 0.00 0.00 +0.112 A ATOM 14 C LIG 1 -6.683 -0.202 1.910 0.00 0.00 +0.082 A ATOM 15 C LIG 1 -8.012 -0.038 1.539 0.00 0.00 +0.130 A ATOM 16 N LIG 1 -5.097 -0.188 -1.224 0.00 0.00 -0.337 N ATOM 17 H LIG 1 -5.085 -0.138 -2.234 0.00 0.00 +0.167 HD ATOM 18 N LIG 1 -8.455 0.100 0.262 0.00 0.00 -0.219 NA BRANCH 14 19 ATOM 19 C LIG 1 -6.292 -0.350 3.316 0.00 0.00 +0.245 C ATOM 20 O LIG 1 -5.470 -1.171 3.695 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 -6.911 0.485 4.210 0.00 0.00 -0.325 N ATOM 22 H LIG 1 -7.360 1.343 3.917 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -6.533 0.463 5.150 0.00 0.00 +0.145 HD ENDBRANCH 14 19 BRANCH 9 24 ATOM 24 O LIG 1 -7.946 0.186 -2.064 0.00 0.00 -0.475 OA BRANCH 24 26 ATOM 25 C LIG 1 -10.043 -1.013 -2.329 0.00 0.00 +0.048 C ATOM 26 C LIG 1 -9.354 0.339 -2.257 0.00 0.00 +0.227 C ENDBRANCH 24 26 ENDBRANCH 9 24 ENDBRANCH 1 13 BRANCH 5 27 ATOM 27 C LIG 1 2.403 0.213 -0.866 0.00 0.00 +0.072 A ATOM 28 C LIG 1 2.123 1.488 -1.348 0.00 0.00 +0.135 A ATOM 29 F LIG 1 1.021 1.724 -2.077 0.00 0.00 -0.205 F ATOM 30 C LIG 1 2.983 2.547 -1.077 0.00 0.00 +0.039 A ATOM 31 C LIG 1 4.142 2.327 -0.329 0.00 0.00 +0.007 A ATOM 32 C LIG 1 4.451 1.042 0.145 0.00 0.00 -0.041 A ATOM 33 C LIG 1 3.578 -0.020 -0.141 0.00 0.00 +0.020 A BRANCH 32 34 ATOM 34 C LIG 1 5.726 0.796 0.922 0.00 0.00 +0.093 C BRANCH 34 35 ATOM 35 C LIG 1 6.979 0.594 0.074 0.00 0.00 +0.074 A ATOM 36 C LIG 1 8.246 0.237 0.766 0.00 0.00 +0.011 A ATOM 37 C LIG 1 9.378 0.051 -0.025 0.00 0.00 +0.050 A ATOM 38 C LIG 1 10.607 -0.288 0.556 0.00 0.00 +0.014 A ATOM 39 C LIG 1 10.701 -0.438 1.938 0.00 0.00 +0.001 A ATOM 40 C LIG 1 9.574 -0.249 2.736 0.00 0.00 +0.001 A ATOM 41 C LIG 1 9.272 0.221 -1.482 0.00 0.00 +0.272 A ATOM 42 O LIG 1 10.242 0.066 -2.216 0.00 0.00 -0.266 OA ATOM 43 N LIG 1 8.032 0.565 -1.959 0.00 0.00 -0.242 N ATOM 44 H LIG 1 7.932 0.677 -2.963 0.00 0.00 +0.192 HD ATOM 45 C LIG 1 8.347 0.089 2.156 0.00 0.00 +0.010 A ATOM 46 N LIG 1 6.909 0.749 -1.216 0.00 0.00 -0.175 NA ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 5 27 TORSDOF 7