REMARK Name = BDB000922 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.704 -2.057 -1.404 0.00 0.00 +0.161 A ATOM 2 N LIG 1 0.445 -0.824 -0.862 0.00 0.00 -0.337 N ATOM 3 H LIG 1 1.028 -0.337 -0.204 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 -0.798 -0.414 -1.270 0.00 0.00 +0.067 A ATOM 5 C LIG 1 -1.258 -1.463 -2.051 0.00 0.00 +0.090 A ATOM 6 C LIG 1 -2.526 -1.375 -2.637 0.00 0.00 +0.030 A ATOM 7 C LIG 1 -3.295 -0.225 -2.406 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -2.824 0.825 -1.597 0.00 0.00 -0.031 A ATOM 9 C LIG 1 -1.542 0.742 -1.018 0.00 0.00 +0.032 A ATOM 10 N LIG 1 -0.330 -2.469 -2.114 0.00 0.00 -0.226 NA ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 3.245 -2.480 -0.551 0.00 0.00 +0.083 A ATOM 12 C LIG 1 2.026 -2.892 -1.179 0.00 0.00 +0.149 A ATOM 13 N LIG 1 2.090 -4.169 -1.583 0.00 0.00 -0.169 NA ATOM 14 N LIG 1 3.284 -4.591 -1.153 0.00 0.00 -0.282 N ATOM 15 H LIG 1 3.547 -5.554 -1.336 0.00 0.00 +0.188 HD ATOM 16 C LIG 1 4.002 -3.628 -0.515 0.00 0.00 +0.129 A BRANCH 11 21 ATOM 17 O LIG 1 5.824 -1.661 0.543 0.00 0.00 -0.252 OA ATOM 18 C LIG 1 4.869 -0.905 0.420 0.00 0.00 +0.304 C ATOM 19 N LIG 1 4.919 0.435 0.786 0.00 0.00 -0.296 N ATOM 20 H LIG 1 4.043 0.844 1.076 0.00 0.00 +0.151 HD ATOM 21 N LIG 1 3.623 -1.222 -0.094 0.00 0.00 -0.266 N ATOM 22 H LIG 1 3.079 -0.440 -0.412 0.00 0.00 +0.156 HD BRANCH 19 23 ATOM 23 C LIG 1 6.103 0.997 1.368 0.00 0.00 +0.075 C ATOM 24 C LIG 1 6.105 2.412 1.878 0.00 0.00 +0.024 C ATOM 25 C LIG 1 6.177 1.267 2.845 0.00 0.00 +0.024 C ENDBRANCH 19 23 ENDBRANCH 11 21 ENDBRANCH 1 12 BRANCH 8 26 ATOM 26 C LIG 1 -3.685 2.054 -1.364 0.00 0.00 +0.119 C BRANCH 26 27 ATOM 27 N LIG 1 -4.577 2.029 -0.203 0.00 0.00 -0.294 NA ATOM 28 C LIG 1 -5.652 1.026 -0.246 0.00 0.00 +0.113 C ATOM 29 C LIG 1 -5.485 -0.082 0.807 0.00 0.00 +0.175 C ATOM 30 O LIG 1 -5.436 0.421 2.150 0.00 0.00 -0.377 OA ATOM 31 C LIG 1 -4.886 1.744 2.238 0.00 0.00 +0.175 C ATOM 32 C LIG 1 -3.900 2.057 1.101 0.00 0.00 +0.113 C ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 5