REMARK Name = BDB056199 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.287 1.130 0.292 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -2.185 0.302 -0.008 0.00 0.00 +0.010 A ATOM 3 C LIG 1 -2.279 -1.078 0.255 0.00 0.00 +0.048 A ATOM 4 C LIG 1 -1.108 -1.952 -0.006 0.00 0.00 +0.257 A ATOM 5 N LIG 1 0.007 -1.340 -0.529 0.00 0.00 -0.325 N ATOM 6 H LIG 1 0.804 -1.949 -0.679 0.00 0.00 +0.169 HD ATOM 7 C LIG 1 0.106 -0.001 -0.827 0.00 0.00 +0.024 A ATOM 8 O LIG 1 -1.131 -3.155 0.231 0.00 0.00 -0.267 OA ATOM 9 C LIG 1 -3.457 -1.645 0.752 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -4.566 -0.837 0.972 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -0.935 0.817 -0.594 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -4.484 0.534 0.725 0.00 0.00 +0.023 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -3.309 2.506 -0.015 0.00 0.00 -0.357 N ATOM 14 H LIG 1 -2.407 2.959 0.085 0.00 0.00 +0.142 HD ATOM 15 H LIG 1 -4.034 3.018 0.479 0.00 0.00 +0.142 HD ENDBRANCH 1 13 BRANCH 7 16 ATOM 16 C LIG 1 1.402 0.482 -1.442 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 2.617 0.237 -0.574 0.00 0.00 -0.042 A ATOM 18 C LIG 1 2.777 0.923 0.639 0.00 0.00 +0.004 A ATOM 19 C LIG 1 3.896 0.692 1.441 0.00 0.00 +0.000 A ATOM 20 C LIG 1 4.866 -0.223 1.039 0.00 0.00 +0.000 A ATOM 21 C LIG 1 4.720 -0.909 -0.165 0.00 0.00 +0.000 A ATOM 22 C LIG 1 3.602 -0.681 -0.969 0.00 0.00 +0.004 A ENDBRANCH 16 17 ENDBRANCH 7 16 TORSDOF 3