REMARK Name = BDB008190 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.234 0.209 -0.864 0.00 0.00 +0.159 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 1.255 0.027 -0.981 0.00 0.00 -0.302 N ATOM 3 H LIG 1 1.310 0.952 -0.568 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 0.058 -0.647 -0.966 0.00 0.00 +0.234 C ATOM 5 O LIG 1 0.012 -1.870 -1.122 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 2.524 -0.690 -1.039 0.00 0.00 +0.159 C BRANCH 6 7 ATOM 7 C LIG 1 3.621 0.199 -0.418 0.00 0.00 +0.234 C ATOM 8 N LIG 1 4.838 -0.420 -0.256 0.00 0.00 -0.310 N ATOM 9 H LIG 1 4.899 -1.426 -0.351 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 3.412 1.369 -0.093 0.00 0.00 -0.274 OA BRANCH 8 11 ATOM 11 C LIG 1 5.931 0.257 0.398 0.00 0.00 +0.139 C BRANCH 11 12 ATOM 12 C LIG 1 7.175 -0.588 0.351 0.00 0.00 -0.030 A ATOM 13 C LIG 1 7.497 -1.439 1.417 0.00 0.00 +0.005 A ATOM 14 C LIG 1 8.629 -2.253 1.353 0.00 0.00 +0.000 A ATOM 15 C LIG 1 9.446 -2.226 0.224 0.00 0.00 +0.000 A ATOM 16 C LIG 1 9.132 -1.389 -0.844 0.00 0.00 +0.000 A ATOM 17 C LIG 1 7.999 -0.576 -0.783 0.00 0.00 +0.005 A ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 6 7 BRANCH 6 19 ATOM 18 C LIG 1 3.026 0.025 -3.451 0.00 0.00 +0.006 C ATOM 19 C LIG 1 2.873 -1.132 -2.468 0.00 0.00 +0.028 C ENDBRANCH 6 19 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 N LIG 1 -2.226 -0.523 -0.084 0.00 0.00 -0.302 N ATOM 21 H LIG 1 -3.161 -0.631 -0.472 0.00 0.00 +0.150 HD ATOM 22 C LIG 1 -2.089 -0.771 1.265 0.00 0.00 +0.237 C ATOM 23 O LIG 1 -1.089 -0.416 1.893 0.00 0.00 -0.273 OA BRANCH 22 24 ATOM 24 C LIG 1 -3.345 -1.513 1.902 0.00 0.00 +0.111 C ATOM 25 C LIG 1 -3.820 -2.831 1.200 0.00 0.00 +0.035 C ATOM 26 C LIG 1 -4.023 -3.450 2.593 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -3.005 -2.431 3.129 0.00 0.00 +0.035 C BRANCH 24 28 ATOM 28 N LIG 1 -4.474 -0.578 2.232 0.00 0.00 -0.302 N ATOM 29 H LIG 1 -4.598 -0.300 3.199 0.00 0.00 +0.150 HD ATOM 30 C LIG 1 -5.187 0.107 1.273 0.00 0.00 +0.211 C ATOM 31 O LIG 1 -4.991 -0.004 0.064 0.00 0.00 -0.276 OA ATOM 32 C LIG 1 -6.221 1.043 1.838 0.00 0.00 +0.109 C ENDBRANCH 24 28 ENDBRANCH 22 24 ENDBRANCH 1 20 BRANCH 1 33 ATOM 33 C LIG 1 -1.067 1.671 -0.410 0.00 0.00 +0.033 C BRANCH 33 34 ATOM 34 C LIG 1 -2.385 2.447 -0.259 0.00 0.00 +0.023 C BRANCH 34 35 ATOM 35 C LIG 1 -3.142 2.640 -1.576 0.00 0.00 +0.115 C BRANCH 35 36 ATOM 36 N LIG 1 -4.578 2.586 -1.372 0.00 0.00 -0.356 N ATOM 37 H LIG 1 -4.888 1.677 -1.028 0.00 0.00 +0.162 HD BRANCH 36 38 ATOM 38 C LIG 1 -5.279 3.631 -0.887 0.00 0.00 +0.188 C ATOM 39 N LIG 1 -4.806 4.792 -0.635 0.00 0.00 -0.269 NA ATOM 40 H LIG 1 -5.545 5.389 -0.266 0.00 0.00 +0.190 HD BRANCH 38 41 ATOM 41 N LIG 1 -6.579 3.313 -0.726 0.00 0.00 -0.370 N ATOM 42 H LIG 1 -6.886 2.644 -1.421 0.00 0.00 +0.159 HD ATOM 43 H LIG 1 -7.201 4.109 -0.710 0.00 0.00 +0.159 HD ENDBRANCH 38 41 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 15