REMARK Name = BDB010519 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.162 -0.681 -0.492 0.00 0.00 +0.101 A ATOM 2 C LIG 1 1.448 0.507 -0.589 0.00 0.00 +0.115 A ATOM 3 C LIG 1 1.859 1.458 -1.512 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.089 2.578 -1.458 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 0.209 2.357 -0.511 0.00 0.00 +0.201 A ATOM 6 N LIG 1 2.895 1.304 -2.351 0.00 0.00 -0.202 NA ATOM 7 C LIG 1 3.505 0.122 -2.218 0.00 0.00 +0.220 A ATOM 8 N LIG 1 0.327 1.067 -0.017 0.00 0.00 -0.308 N ATOM 9 N LIG 1 3.196 -0.862 -1.346 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 2.224 -2.374 4.222 0.00 0.00 +0.044 C ATOM 11 C LIG 1 1.926 -2.584 2.767 0.00 0.00 -0.050 A ATOM 12 C LIG 1 2.166 -1.561 1.838 0.00 0.00 +0.013 A ATOM 13 C LIG 1 1.920 -1.749 0.466 0.00 0.00 +0.003 A ATOM 14 C LIG 1 1.470 -3.006 0.036 0.00 0.00 +0.010 A ATOM 15 C LIG 1 1.243 -4.035 0.950 0.00 0.00 +0.001 A ATOM 16 C LIG 1 1.470 -3.825 2.310 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 7 17 ATOM 17 C LIG 1 4.645 -0.130 -3.123 0.00 0.00 +0.287 A ATOM 18 O LIG 1 5.250 -1.340 -2.986 0.00 0.00 -0.385 OA ATOM 19 C LIG 1 6.242 -1.319 -3.914 0.00 0.00 +0.436 A ATOM 20 O LIG 1 7.037 -2.215 -4.132 0.00 0.00 -0.221 OA ATOM 21 N LIG 1 6.161 -0.105 -4.537 0.00 0.00 -0.208 N ATOM 22 H LIG 1 6.766 0.216 -5.281 0.00 0.00 +0.195 HD ATOM 23 N LIG 1 5.148 0.648 -4.037 0.00 0.00 -0.127 NA ENDBRANCH 7 17 BRANCH 5 24 ATOM 24 N LIG 1 -0.765 3.210 -0.089 0.00 0.00 -0.297 N ATOM 25 C LIG 1 -0.622 3.766 1.278 0.00 0.00 +0.136 C ATOM 26 C LIG 1 -0.492 5.297 1.257 0.00 0.00 +0.179 C ATOM 27 O LIG 1 -1.623 5.945 0.658 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 -2.171 5.211 -0.450 0.00 0.00 +0.179 C ATOM 29 C LIG 1 -1.179 4.227 -1.087 0.00 0.00 +0.136 C ENDBRANCH 5 24 BRANCH 8 30 ATOM 30 C LIG 1 -0.642 0.427 0.858 0.00 0.00 +0.128 C BRANCH 30 31 ATOM 31 C LIG 1 -2.003 0.125 0.195 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -3.044 -0.179 1.291 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -4.214 -0.987 0.742 0.00 0.00 +0.003 C ATOM 34 C LIG 1 -3.756 -2.373 0.256 0.00 0.00 -0.014 C ATOM 35 C LIG 1 -4.732 -2.915 -0.789 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -2.311 -2.362 -0.274 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -1.919 -1.005 -0.853 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 5