REMARK Name = BDB014636 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.059 -0.938 2.811 0.00 0.00 +0.324 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.298 0.403 2.142 0.00 0.00 +0.251 C ATOM 3 N LIG 1 0.229 0.725 0.923 0.00 0.00 -0.310 N ATOM 4 H LIG 1 -0.065 1.638 0.600 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -1.074 1.214 2.657 0.00 0.00 -0.272 OA BRANCH 3 6 ATOM 6 C LIG 1 1.201 -0.005 0.120 0.00 0.00 +0.136 C BRANCH 6 7 ATOM 7 C LIG 1 2.646 0.214 0.595 0.00 0.00 +0.145 C BRANCH 7 8 ATOM 8 O LIG 1 2.864 -0.488 1.827 0.00 0.00 -0.389 OA ATOM 9 H LIG 1 3.836 -0.614 1.872 0.00 0.00 +0.210 HD ENDBRANCH 7 8 BRANCH 7 10 ATOM 10 C LIG 1 3.656 -0.305 -0.452 0.00 0.00 +0.117 C BRANCH 10 11 ATOM 11 N LIG 1 5.045 -0.299 0.067 0.00 0.00 -0.295 NA ATOM 12 C LIG 1 5.952 -1.021 -0.853 0.00 0.00 +0.120 C ATOM 13 C LIG 1 6.320 -0.261 -2.109 0.00 0.00 -0.030 A ATOM 14 C LIG 1 6.259 1.145 -2.147 0.00 0.00 -0.042 A ATOM 15 C LIG 1 6.640 1.826 -3.311 0.00 0.00 +0.004 A ATOM 16 C LIG 1 7.099 1.121 -4.422 0.00 0.00 +0.000 A ATOM 17 C LIG 1 7.178 -0.269 -4.381 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.726 1.915 -0.966 0.00 0.00 +0.051 C ATOM 19 C LIG 1 6.796 -0.957 -3.230 0.00 0.00 +0.005 A ATOM 20 C LIG 1 5.596 1.051 0.298 0.00 0.00 +0.089 C ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 6 7 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 O LIG 1 -1.005 -1.543 3.556 0.00 0.00 -0.483 OA BRANCH 21 24 ATOM 22 C LIG 1 -4.126 -1.634 1.669 0.00 0.00 +0.040 A ATOM 23 C LIG 1 -3.136 -1.230 2.568 0.00 0.00 +0.058 A ATOM 24 C LIG 1 -1.983 -1.999 2.714 0.00 0.00 +0.122 A ATOM 25 C LIG 1 -1.841 -3.213 2.048 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -2.847 -3.643 1.183 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -3.982 -2.851 0.987 0.00 0.00 +0.013 A BRANCH 22 30 ATOM 28 N LIG 1 -5.215 0.553 1.648 0.00 0.00 -0.311 N ATOM 29 H LIG 1 -4.305 0.931 1.879 0.00 0.00 +0.149 HD ATOM 30 C LIG 1 -5.328 -0.800 1.389 0.00 0.00 +0.244 C ATOM 31 O LIG 1 -6.335 -1.315 0.913 0.00 0.00 -0.270 OA BRANCH 28 32 ATOM 32 C LIG 1 -6.217 1.495 1.187 0.00 0.00 +0.110 C BRANCH 32 33 ATOM 33 C LIG 1 -5.757 2.305 -0.034 0.00 0.00 +0.073 C BRANCH 33 36 ATOM 34 C LIG 1 -7.403 0.387 -1.895 0.00 0.00 +0.150 C ATOM 35 N LIG 1 -5.984 0.636 -1.955 0.00 0.00 -0.337 N ATOM 36 C LIG 1 -5.238 1.477 -1.164 0.00 0.00 +0.039 A ATOM 37 C LIG 1 -3.952 1.351 -1.654 0.00 0.00 +0.133 A ATOM 38 N LIG 1 -3.899 0.466 -2.697 0.00 0.00 -0.244 NA ATOM 39 C LIG 1 -5.133 0.044 -2.847 0.00 0.00 +0.199 A ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 22 30 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 12