REMARK Name = BDB050768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.058 -1.836 1.362 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.033 -0.975 1.644 0.00 0.00 +0.042 A ATOM 3 C LIG 1 -0.898 -1.298 2.703 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -0.724 -2.469 3.442 0.00 0.00 +0.002 A ATOM 5 C LIG 1 0.328 -3.329 3.145 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.214 -3.015 2.113 0.00 0.00 +0.013 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 3.154 -0.251 -2.841 0.00 0.00 +0.064 A ATOM 8 C LIG 1 2.878 -0.811 -1.577 0.00 0.00 +0.102 A ATOM 9 C LIG 1 3.914 -1.414 -0.868 0.00 0.00 +0.067 A ATOM 10 N LIG 1 3.330 -1.853 0.292 0.00 0.00 -0.338 N ATOM 11 H LIG 1 3.808 -2.313 1.053 0.00 0.00 +0.167 HD ATOM 12 C LIG 1 1.994 -1.530 0.270 0.00 0.00 +0.141 A ATOM 13 C LIG 1 5.228 -1.490 -1.335 0.00 0.00 +0.028 A ATOM 14 C LIG 1 5.488 -0.926 -2.587 0.00 0.00 +0.003 A ATOM 15 N LIG 1 1.701 -0.883 -0.847 0.00 0.00 -0.227 NA ATOM 16 C LIG 1 4.473 -0.317 -3.329 0.00 0.00 +0.015 A BRANCH 7 20 ATOM 17 N LIG 1 0.833 0.391 -3.199 0.00 0.00 -0.325 N ATOM 18 H LIG 1 0.600 -0.035 -2.309 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 0.108 0.848 -3.734 0.00 0.00 +0.145 HD ATOM 20 C LIG 1 2.113 0.401 -3.669 0.00 0.00 +0.244 C ATOM 21 O LIG 1 2.385 0.927 -4.742 0.00 0.00 -0.270 OA ENDBRANCH 7 20 ENDBRANCH 1 12 BRANCH 2 22 ATOM 22 N LIG 1 -0.174 0.265 0.947 0.00 0.00 -0.313 N ATOM 23 H LIG 1 0.331 0.189 0.057 0.00 0.00 +0.152 HD BRANCH 22 24 ATOM 24 C LIG 1 -1.423 0.928 0.726 0.00 0.00 +0.050 A ATOM 25 C LIG 1 -1.755 2.053 1.522 0.00 0.00 +0.022 A ATOM 26 C LIG 1 -2.990 2.675 1.274 0.00 0.00 +0.073 A ATOM 27 C LIG 1 -3.347 3.780 2.037 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -2.516 4.289 3.038 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -1.293 3.684 3.287 0.00 0.00 +0.001 A ATOM 30 N LIG 1 -3.843 2.250 0.331 0.00 0.00 -0.247 NA ATOM 31 C LIG 1 -3.526 1.185 -0.420 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -4.433 0.779 -1.391 0.00 0.00 +0.028 A ATOM 33 C LIG 1 -4.192 -0.319 -2.219 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -3.017 -1.039 -2.075 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -2.091 -0.652 -1.108 0.00 0.00 +0.012 A ATOM 36 C LIG 1 -0.914 2.574 2.535 0.00 0.00 +0.012 A ATOM 37 C LIG 1 -2.325 0.468 -0.270 0.00 0.00 +0.022 A ENDBRANCH 22 24 ENDBRANCH 2 22 TORSDOF 4