REMARK Name = BDB050774 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.557 -0.683 -0.922 0.00 0.00 +0.017 A ATOM 2 C LIG 1 0.911 -0.934 -2.139 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.479 -0.796 -2.251 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -1.256 -0.382 -1.161 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -0.613 -0.159 0.059 0.00 0.00 +0.024 A ATOM 6 C LIG 1 0.776 -0.293 0.173 0.00 0.00 +0.013 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 6.215 -0.408 0.725 0.00 0.00 +0.064 A ATOM 8 C LIG 1 5.038 -0.678 -0.000 0.00 0.00 +0.102 A ATOM 9 C LIG 1 5.120 -1.442 -1.159 0.00 0.00 +0.067 A ATOM 10 N LIG 1 3.828 -1.516 -1.613 0.00 0.00 -0.338 N ATOM 11 H LIG 1 3.525 -2.023 -2.430 0.00 0.00 +0.167 HD ATOM 12 C LIG 1 3.009 -0.815 -0.757 0.00 0.00 +0.139 A ATOM 13 C LIG 1 6.315 -1.970 -1.653 0.00 0.00 +0.028 A ATOM 14 C LIG 1 7.476 -1.695 -0.923 0.00 0.00 +0.003 A ATOM 15 N LIG 1 3.725 -0.308 0.231 0.00 0.00 -0.227 NA ATOM 16 C LIG 1 7.431 -0.929 0.244 0.00 0.00 +0.015 A BRANCH 7 20 ATOM 17 N LIG 1 5.011 0.894 2.391 0.00 0.00 -0.325 N ATOM 18 H LIG 1 4.155 0.716 1.871 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 4.979 1.453 3.231 0.00 0.00 +0.145 HD ATOM 20 C LIG 1 6.211 0.401 1.967 0.00 0.00 +0.244 C ATOM 21 O LIG 1 7.242 0.622 2.591 0.00 0.00 -0.270 OA ENDBRANCH 7 20 ENDBRANCH 1 12 BRANCH 4 22 ATOM 22 N LIG 1 -2.665 -0.322 -1.310 0.00 0.00 -0.313 N ATOM 23 H LIG 1 -2.906 -0.021 -2.252 0.00 0.00 +0.152 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.566 0.259 -0.363 0.00 0.00 +0.050 A ATOM 25 C LIG 1 -3.881 1.643 -0.423 0.00 0.00 +0.022 A ATOM 26 C LIG 1 -4.768 2.137 0.551 0.00 0.00 +0.073 A ATOM 27 C LIG 1 -5.112 3.482 0.526 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -4.600 4.361 -0.429 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -3.715 3.891 -1.387 0.00 0.00 +0.001 A ATOM 30 N LIG 1 -5.298 1.371 1.516 0.00 0.00 -0.247 NA ATOM 31 C LIG 1 -4.978 0.070 1.582 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -5.534 -0.693 2.601 0.00 0.00 +0.028 A ATOM 33 C LIG 1 -5.257 -2.054 2.742 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -4.405 -2.678 1.843 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -3.837 -1.932 0.812 0.00 0.00 +0.012 A ATOM 36 C LIG 1 -3.356 2.544 -1.385 0.00 0.00 +0.012 A ATOM 37 C LIG 1 -4.110 -0.550 0.667 0.00 0.00 +0.022 A ENDBRANCH 22 24 ENDBRANCH 4 22 TORSDOF 4