REMARK Name = BDB045467 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.056 -0.138 -0.036 0.00 0.00 -0.282 N ATOM 2 H LIG 1 0.373 0.817 0.064 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -1.265 -0.331 -0.361 0.00 0.00 +0.245 C ATOM 4 O LIG 1 -1.819 -1.387 -0.644 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.402 -1.610 0.532 0.00 0.00 +0.038 A ATOM 6 C LIG 1 2.360 -0.687 0.360 0.00 0.00 +0.036 A ATOM 7 C LIG 1 1.052 -1.128 0.112 0.00 0.00 +0.034 A ATOM 8 C LIG 1 0.803 -2.501 0.044 0.00 0.00 +0.023 A ATOM 9 C LIG 1 1.838 -3.423 0.231 0.00 0.00 +0.003 A ATOM 10 C LIG 1 3.135 -2.980 0.481 0.00 0.00 +0.013 A BRANCH 5 14 ATOM 11 N LIG 1 5.175 0.043 0.299 0.00 0.00 -0.325 N ATOM 12 H LIG 1 4.682 0.466 -0.475 0.00 0.00 +0.145 HD ATOM 13 H LIG 1 6.166 0.241 0.366 0.00 0.00 +0.145 HD ATOM 14 C LIG 1 4.796 -1.172 0.799 0.00 0.00 +0.242 C ATOM 15 O LIG 1 5.588 -1.879 1.406 0.00 0.00 -0.270 OA ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 3 16 ATOM 16 C LIG 1 -2.071 0.909 -0.375 0.00 0.00 +0.025 C ATOM 17 C LIG 1 -1.939 1.960 0.684 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -2.689 3.141 0.079 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -3.662 2.539 -0.929 0.00 0.00 +0.043 C ATOM 20 C LIG 1 -3.040 1.210 -1.257 0.00 0.00 +0.044 C BRANCH 20 21 ATOM 21 C LIG 1 -3.554 0.519 -2.458 0.00 0.00 +0.333 C ATOM 22 O LIG 1 -4.162 1.129 -3.325 0.00 0.00 -0.245 OA BRANCH 21 23 ATOM 23 O LIG 1 -3.357 -0.805 -2.529 0.00 0.00 -0.477 OA ATOM 24 H LIG 1 -2.891 -1.218 -1.765 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 3 16 TORSDOF 5