REMARK Name = BDB011722 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.243 2.453 -0.845 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.394 1.601 0.258 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.635 2.099 1.363 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.669 0.270 -0.067 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.076 -0.370 -1.210 0.00 0.00 +0.058 A ATOM 6 C LIG 1 1.269 -0.142 -1.594 0.00 0.00 +0.058 A ATOM 7 C LIG 1 1.796 -0.805 -2.716 0.00 0.00 +0.025 A ATOM 8 C LIG 1 1.021 -1.701 -3.447 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.295 -1.933 -3.073 0.00 0.00 +0.002 A ATOM 10 N LIG 1 2.114 0.738 -0.859 0.00 0.00 -0.266 N ATOM 11 C LIG 1 3.443 0.436 -0.527 0.00 0.00 +0.246 C ATOM 12 O LIG 1 4.272 1.324 -0.312 0.00 0.00 -0.273 OA ATOM 13 C LIG 1 -0.837 -1.269 -1.971 0.00 0.00 +0.025 A ATOM 14 C LIG 1 1.737 2.153 -0.823 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -1.200 4.438 -1.007 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -0.029 3.866 -0.549 0.00 0.00 -0.301 N ATOM 17 H LIG 1 0.273 4.159 0.373 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -1.899 3.889 -1.860 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -1.526 5.856 -0.456 0.00 0.00 +0.137 C ATOM 20 C LIG 1 -1.241 6.035 1.034 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -3.937 5.545 -0.023 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -2.919 6.230 -0.815 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -3.051 5.950 -1.792 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 -1.268 -0.573 0.985 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 -2.616 -1.214 0.676 0.00 0.00 -0.019 A ATOM 26 C LIG 1 -2.750 -2.647 0.590 0.00 0.00 -0.013 A ATOM 27 C LIG 1 -4.029 -3.196 0.308 0.00 0.00 -0.018 A ATOM 28 C LIG 1 -4.209 -4.586 0.207 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -3.144 -5.465 0.377 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -1.883 -4.960 0.647 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.128 -2.357 0.120 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -4.997 -0.976 0.212 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -1.690 -3.578 0.750 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -3.760 -0.390 0.500 0.00 0.00 -0.045 A ATOM 35 C LIG 1 -3.708 1.114 0.590 0.00 0.00 +0.044 C ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 36 ATOM 36 C LIG 1 3.796 -1.056 -0.360 0.00 0.00 +0.256 C BRANCH 36 37 ATOM 37 O LIG 1 4.827 -1.250 0.606 0.00 0.00 -0.368 OA BRANCH 37 38 ATOM 38 C LIG 1 5.188 -2.624 0.727 0.00 0.00 +0.188 C BRANCH 38 39 ATOM 39 C LIG 1 6.296 -2.767 1.764 0.00 0.00 +0.187 C BRANCH 39 40 ATOM 40 O LIG 1 6.646 -4.145 1.891 0.00 0.00 -0.381 OA ATOM 41 C LIG 1 7.683 -4.330 2.845 0.00 0.00 +0.194 C ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 11 36 TORSDOF 10