REMARK Name = BDB056333 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.237 -1.088 -0.221 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.009 -1.975 -0.257 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.068 -3.089 0.285 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.147 -1.516 -0.882 0.00 0.00 -0.264 N ATOM 5 C LIG 1 1.226 -0.354 -1.759 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.505 0.876 -1.643 0.00 0.00 +0.058 A ATOM 7 C LIG 1 0.860 1.925 -2.534 0.00 0.00 +0.025 A ATOM 8 C LIG 1 1.782 1.780 -3.567 0.00 0.00 +0.002 A ATOM 9 C LIG 1 2.397 0.565 -3.745 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -0.507 1.196 -0.650 0.00 0.00 -0.267 N ATOM 11 C LIG 1 -1.455 2.223 -0.872 0.00 0.00 +0.220 C ATOM 12 O LIG 1 -1.757 2.655 -1.986 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 2.118 -0.471 -2.856 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.776 0.224 0.395 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -3.551 -1.349 0.643 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -2.248 -1.778 0.593 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -2.009 -2.727 0.869 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -3.888 -0.262 0.173 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -4.534 -2.262 1.423 0.00 0.00 +0.137 C ATOM 20 C LIG 1 -4.486 -3.708 0.939 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -6.707 -1.853 2.441 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -5.908 -1.747 1.230 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -5.837 -0.760 0.957 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 2.311 -2.441 -0.766 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 3.687 -1.815 -0.521 0.00 0.00 -0.019 A ATOM 26 C LIG 1 3.896 -0.883 0.547 0.00 0.00 -0.013 A ATOM 27 C LIG 1 5.144 -0.218 0.649 0.00 0.00 -0.018 A ATOM 28 C LIG 1 5.364 0.738 1.655 0.00 0.00 +0.008 A ATOM 29 C LIG 1 4.381 1.031 2.596 0.00 0.00 +0.001 A ATOM 30 C LIG 1 3.171 0.357 2.550 0.00 0.00 +0.001 A ATOM 31 C LIG 1 6.173 -0.526 -0.243 0.00 0.00 +0.009 A ATOM 32 C LIG 1 6.007 -1.517 -1.205 0.00 0.00 +0.004 A ATOM 33 C LIG 1 2.939 -0.589 1.547 0.00 0.00 +0.009 A ATOM 34 C LIG 1 4.788 -2.192 -1.337 0.00 0.00 -0.045 A ATOM 35 C LIG 1 4.714 -3.299 -2.358 0.00 0.00 +0.044 C ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 36 ATOM 36 C LIG 1 -2.109 2.811 0.380 0.00 0.00 +0.099 C BRANCH 36 37 ATOM 37 C LIG 1 -2.632 4.244 0.176 0.00 0.00 -0.008 C ATOM 38 C LIG 1 -3.512 4.654 1.359 0.00 0.00 +0.008 C ATOM 39 C LIG 1 -1.480 5.239 0.019 0.00 0.00 +0.008 C ENDBRANCH 36 37 ENDBRANCH 11 36 TORSDOF 7