REMARK Name = BDB011791 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.700 -0.377 -0.528 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.516 -0.985 0.218 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.567 -2.158 0.612 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.661 -0.241 0.226 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.768 0.928 1.089 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.357 1.649 1.588 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.146 2.667 2.548 0.00 0.00 +0.025 A ATOM 8 C LIG 1 1.126 3.013 2.993 0.00 0.00 +0.002 A ATOM 9 C LIG 1 2.225 2.357 2.473 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -1.695 1.507 1.067 0.00 0.00 -0.267 N ATOM 11 C LIG 1 -2.818 1.720 1.881 0.00 0.00 +0.220 C ATOM 12 O LIG 1 -2.767 1.731 3.112 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 2.044 1.336 1.538 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -1.788 1.128 -0.345 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -4.015 -1.154 -0.919 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -2.904 -1.106 -0.109 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -2.736 -1.865 0.546 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -4.123 -0.411 -1.896 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -5.145 -2.112 -0.454 0.00 0.00 +0.137 C ATOM 20 C LIG 1 -4.646 -3.514 -0.104 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -5.968 -2.894 -2.648 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -6.252 -2.123 -1.442 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -6.406 -1.151 -1.726 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 1.851 -1.039 -0.110 0.00 0.00 +0.153 C BRANCH 24 25 ATOM 25 C LIG 1 2.810 -0.409 -1.121 0.00 0.00 +0.020 A ATOM 26 C LIG 1 4.232 -0.448 -0.912 0.00 0.00 -0.010 A ATOM 27 C LIG 1 5.077 0.181 -1.861 0.00 0.00 -0.017 A ATOM 28 C LIG 1 6.472 0.194 -1.688 0.00 0.00 +0.023 A ATOM 29 C LIG 1 7.074 -0.423 -0.587 0.00 0.00 +0.060 A ATOM 30 C LIG 1 6.267 -1.065 0.348 0.00 0.00 +0.015 A ATOM 31 C LIG 1 4.528 0.791 -2.990 0.00 0.00 +0.012 A ATOM 32 C LIG 1 3.156 0.769 -3.223 0.00 0.00 +0.046 A ATOM 33 C LIG 1 4.876 -1.078 0.185 0.00 0.00 +0.010 A ATOM 34 C LIG 1 2.294 0.158 -2.313 0.00 0.00 +0.125 A BRANCH 29 35 ATOM 35 C LIG 1 8.556 -0.371 -0.471 0.00 0.00 +0.339 C ATOM 36 O LIG 1 9.277 0.182 -1.287 0.00 0.00 -0.245 OA BRANCH 35 37 ATOM 37 O LIG 1 8.972 -1.012 0.650 0.00 0.00 -0.464 OA ATOM 38 C LIG 1 10.389 -1.005 0.831 0.00 0.00 +0.280 C ENDBRANCH 35 37 ENDBRANCH 29 35 BRANCH 34 39 ATOM 39 O LIG 1 0.939 0.054 -2.512 0.00 0.00 -0.495 OA ATOM 40 C LIG 1 0.418 0.490 -3.763 0.00 0.00 +0.277 C ENDBRANCH 34 39 ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 41 ATOM 41 C LIG 1 -4.146 1.964 1.170 0.00 0.00 +0.097 C BRANCH 41 42 ATOM 42 C LIG 1 -5.299 2.298 2.122 0.00 0.00 +0.024 C BRANCH 42 43 ATOM 43 C LIG 1 -5.810 1.067 2.871 0.00 0.00 +0.078 C BRANCH 43 44 ATOM 44 N LIG 1 -6.944 1.431 3.715 0.00 0.00 -0.330 NA ATOM 45 H LIG 1 -6.636 2.112 4.409 0.00 0.00 +0.118 HD ATOM 46 H LIG 1 -7.242 0.612 4.244 0.00 0.00 +0.118 HD ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 11 41 TORSDOF 12