REMARK Name = BDB016055 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.596 -2.016 0.219 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.014 -0.830 0.029 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.365 -0.779 0.078 0.00 0.00 +0.133 A ATOM 4 C LIG 1 -2.124 -1.934 0.289 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -1.396 -3.097 0.474 0.00 0.00 +0.125 A ATOM 6 N LIG 1 -0.051 -3.169 0.453 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.227 -0.879 -0.109 0.00 0.00 -0.014 A ATOM 8 C LIG 1 2.823 -0.872 -0.059 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.072 -2.045 0.169 0.00 0.00 +0.020 A ATOM 10 C LIG 1 2.791 -3.241 0.347 0.00 0.00 +0.011 A ATOM 11 C LIG 1 4.186 -3.268 0.300 0.00 0.00 +0.001 A ATOM 12 C LIG 1 4.900 -2.092 0.072 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 7.732 2.642 -0.111 0.00 0.00 +0.172 C ATOM 14 N LIG 1 6.515 1.902 -0.340 0.00 0.00 -0.274 N ATOM 15 N LIG 1 5.523 2.466 -1.051 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 4.573 1.526 -1.057 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.952 0.356 -0.356 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.224 0.643 0.098 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 3 19 ATOM 19 N LIG 1 -1.977 0.492 -0.064 0.00 0.00 -0.314 N ATOM 20 C LIG 1 -1.145 1.456 -0.794 0.00 0.00 +0.109 C ATOM 21 C LIG 1 -2.007 2.654 -1.196 0.00 0.00 +0.050 C ATOM 22 C LIG 1 -3.075 2.983 -0.151 0.00 0.00 +0.118 C ATOM 23 C LIG 1 -2.666 2.501 1.232 0.00 0.00 +0.050 C ATOM 24 C LIG 1 -2.464 0.985 1.243 0.00 0.00 +0.109 C BRANCH 22 25 ATOM 25 O LIG 1 -3.296 4.391 -0.110 0.00 0.00 -0.392 OA ATOM 26 H LIG 1 -3.575 4.669 -1.000 0.00 0.00 +0.210 HD ENDBRANCH 22 25 ENDBRANCH 3 19 BRANCH 4 27 ATOM 27 C LIG 1 -3.572 -1.998 0.292 0.00 0.00 +0.024 A ATOM 28 C LIG 1 -4.396 -1.421 -0.652 0.00 0.00 +0.116 A ATOM 29 N LIG 1 -5.672 -1.740 -0.293 0.00 0.00 -0.274 N ATOM 30 C LIG 1 -6.887 -1.352 -0.967 0.00 0.00 +0.172 C ATOM 31 N LIG 1 -5.741 -2.506 0.811 0.00 0.00 -0.179 NA ATOM 32 C LIG 1 -4.463 -2.666 1.163 0.00 0.00 +0.143 A ENDBRANCH 4 27 TORSDOF 5