REMARK Name = BDB062291 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.858 0.833 0.652 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -4.619 0.869 0.000 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -3.429 1.025 0.733 0.00 0.00 -0.001 A ATOM 4 C LIG 1 -2.074 1.011 0.062 0.00 0.00 +0.140 C ATOM 5 N LIG 1 -0.978 1.438 0.938 0.00 0.00 -0.265 N ATOM 6 C LIG 1 -1.094 1.523 2.303 0.00 0.00 +0.308 C ATOM 7 N LIG 1 -2.332 1.347 2.840 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -2.367 1.449 3.845 0.00 0.00 +0.156 HD ATOM 9 O LIG 1 -0.153 1.790 3.050 0.00 0.00 -0.252 OA ATOM 10 C LIG 1 -3.502 1.157 2.115 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -4.729 1.114 2.777 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -5.906 0.950 2.045 0.00 0.00 +0.010 A ENDROOT BRANCH 1 15 ATOM 13 C LIG 1 -8.098 -1.576 0.798 0.00 0.00 +0.070 C ATOM 14 C LIG 1 -8.063 -0.365 -0.054 0.00 0.00 +0.088 A ATOM 15 C LIG 1 -7.077 0.656 -0.103 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -7.543 1.526 -1.065 0.00 0.00 +0.142 A ATOM 17 C LIG 1 -7.065 2.799 -1.635 0.00 0.00 +0.090 C ATOM 18 O LIG 1 -8.719 1.054 -1.560 0.00 0.00 -0.359 OA ATOM 19 N LIG 1 -9.051 -0.128 -0.926 0.00 0.00 -0.083 NA ENDBRANCH 1 15 BRANCH 4 20 ATOM 20 C LIG 1 -1.788 -0.320 -0.627 0.00 0.00 -0.022 A ATOM 21 C LIG 1 -1.625 -0.374 -2.022 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -1.350 -1.586 -2.659 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -1.235 -2.756 -1.913 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -1.397 -2.719 -0.530 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -1.674 -1.510 0.110 0.00 0.00 +0.006 A ENDBRANCH 4 20 BRANCH 5 26 ATOM 26 C LIG 1 0.347 1.622 0.353 0.00 0.00 +0.206 C BRANCH 26 27 ATOM 27 C LIG 1 1.175 0.328 0.337 0.00 0.00 +0.231 C ATOM 28 N LIG 1 1.977 0.195 -0.782 0.00 0.00 -0.304 N ATOM 29 H LIG 1 2.260 1.041 -1.259 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 1.161 -0.511 1.236 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 2.862 -0.954 -0.927 0.00 0.00 +0.141 C BRANCH 31 32 ATOM 32 C LIG 1 4.088 -0.690 -0.099 0.00 0.00 +0.129 A ATOM 33 N LIG 1 4.061 -0.858 1.267 0.00 0.00 -0.340 N ATOM 34 H LIG 1 3.234 -1.111 1.797 0.00 0.00 +0.167 HD ATOM 35 C LIG 1 5.297 -0.543 1.768 0.00 0.00 +0.067 A ATOM 36 C LIG 1 6.049 -0.187 0.649 0.00 0.00 +0.101 A ATOM 37 C LIG 1 7.389 0.198 0.837 0.00 0.00 +0.064 A ATOM 38 C LIG 1 7.920 0.207 2.142 0.00 0.00 +0.015 A ATOM 39 C LIG 1 7.132 -0.152 3.237 0.00 0.00 +0.003 A ATOM 40 C LIG 1 5.797 -0.534 3.072 0.00 0.00 +0.028 A ATOM 41 N LIG 1 5.268 -0.253 -0.485 0.00 0.00 -0.230 NA BRANCH 37 42 ATOM 42 C LIG 1 8.231 0.573 -0.318 0.00 0.00 +0.244 C ATOM 43 O LIG 1 8.214 -0.022 -1.385 0.00 0.00 -0.270 OA ATOM 44 N LIG 1 9.064 1.647 -0.130 0.00 0.00 -0.325 N ATOM 45 H LIG 1 8.905 2.306 0.619 0.00 0.00 +0.145 HD ATOM 46 H LIG 1 9.530 1.983 -0.962 0.00 0.00 +0.145 HD ENDBRANCH 37 42 ENDBRANCH 31 32 BRANCH 31 47 ATOM 47 C LIG 1 3.116 -1.293 -2.416 0.00 0.00 +0.011 C ATOM 48 C LIG 1 3.777 -0.183 -3.241 0.00 0.00 +0.009 C ATOM 49 C LIG 1 3.904 -2.599 -2.568 0.00 0.00 +0.009 C ENDBRANCH 31 47 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 8