REMARK Name = BDB008192 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.595 0.267 0.452 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.869 0.319 0.427 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.669 0.801 -0.053 0.00 0.00 -0.302 N ATOM 4 H LIG 1 0.651 1.082 -1.028 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.950 -0.396 1.427 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 3.110 0.746 -0.380 0.00 0.00 +0.156 C ATOM 7 C LIG 1 3.142 0.046 -1.734 0.00 0.00 +0.038 C BRANCH 6 9 ATOM 8 C LIG 1 5.495 1.044 0.236 0.00 0.00 +0.216 C ATOM 9 N LIG 1 4.290 0.410 0.408 0.00 0.00 -0.304 N ATOM 10 H LIG 1 4.144 -0.214 1.197 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 5.670 1.911 -0.615 0.00 0.00 -0.276 OA BRANCH 8 13 ATOM 12 C LIG 1 6.944 -0.886 0.930 0.00 0.00 +0.017 C ATOM 13 C LIG 1 6.583 0.574 1.198 0.00 0.00 +0.069 C ATOM 14 C LIG 1 7.826 1.455 1.091 0.00 0.00 +0.017 C ENDBRANCH 8 13 ENDBRANCH 6 9 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 15 ATOM 15 C LIG 1 -0.980 -0.894 -0.494 0.00 0.00 +0.234 C ATOM 16 N LIG 1 -1.763 -1.880 0.067 0.00 0.00 -0.303 N ATOM 17 H LIG 1 -2.179 -1.696 0.970 0.00 0.00 +0.149 HD ATOM 18 O LIG 1 -0.654 -0.901 -1.682 0.00 0.00 -0.274 OA BRANCH 16 19 ATOM 19 C LIG 1 -2.484 -2.816 -0.789 0.00 0.00 +0.156 C ATOM 20 C LIG 1 -2.686 -4.147 -0.081 0.00 0.00 +0.038 C BRANCH 19 21 ATOM 21 C LIG 1 -3.850 -2.191 -1.141 0.00 0.00 +0.231 C ATOM 22 O LIG 1 -4.371 -1.281 -0.496 0.00 0.00 -0.274 OA ATOM 23 N LIG 1 -4.504 -2.751 -2.201 0.00 0.00 -0.328 N ATOM 24 H LIG 1 -5.354 -2.289 -2.502 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 -3.997 -3.265 -2.911 0.00 0.00 +0.145 HD ENDBRANCH 19 21 ENDBRANCH 16 19 ENDBRANCH 1 15 BRANCH 1 26 ATOM 26 C LIG 1 -1.680 1.353 0.406 0.00 0.00 +0.033 C BRANCH 26 27 ATOM 27 C LIG 1 -2.757 1.160 1.483 0.00 0.00 +0.023 C BRANCH 27 28 ATOM 28 C LIG 1 -4.019 1.978 1.201 0.00 0.00 +0.115 C BRANCH 28 29 ATOM 29 N LIG 1 -4.703 1.445 0.035 0.00 0.00 -0.356 N ATOM 30 H LIG 1 -4.597 0.430 -0.062 0.00 0.00 +0.162 HD BRANCH 29 31 ATOM 31 C LIG 1 -5.907 1.879 -0.391 0.00 0.00 +0.188 C ATOM 32 N LIG 1 -6.761 1.125 -0.985 0.00 0.00 -0.269 NA ATOM 33 H LIG 1 -6.361 0.182 -1.037 0.00 0.00 +0.190 HD BRANCH 31 34 ATOM 34 N LIG 1 -6.185 3.179 -0.190 0.00 0.00 -0.370 N ATOM 35 H LIG 1 -5.424 3.781 -0.473 0.00 0.00 +0.159 HD ATOM 36 H LIG 1 -7.035 3.417 -0.691 0.00 0.00 +0.159 HD ENDBRANCH 31 34 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 13