REMARK Name = BDB010355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.689 0.115 -0.040 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.697 1.028 0.315 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -1.037 2.162 1.038 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.046 2.941 1.309 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.056 2.340 0.730 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -2.285 2.474 1.423 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -3.178 1.562 1.015 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.662 1.156 0.130 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.949 0.435 0.319 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.580 1.841 1.398 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.861 2.951 2.099 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.210 3.651 2.418 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.183 2.955 2.310 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.810 3.809 2.916 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.719 1.833 1.729 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.624 1.122 1.137 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -1.440 -1.063 -0.728 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -0.554 -1.485 -0.487 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -2.652 -2.846 0.444 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -2.527 -2.041 -0.853 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -2.188 -3.000 -2.010 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -2.159 -2.374 -3.434 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -3.611 -2.851 -3.619 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -3.338 -3.908 -2.532 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 N LIG 1 2.353 2.748 0.700 0.00 0.00 -0.298 N ATOM 26 C LIG 1 2.881 3.181 2.002 0.00 0.00 +0.132 C BRANCH 25 27 ATOM 27 C LIG 1 2.689 3.697 -0.396 0.00 0.00 +0.166 C BRANCH 27 28 ATOM 28 C LIG 1 2.357 5.155 -0.243 0.00 0.00 +0.101 A ATOM 29 N LIG 1 3.334 6.075 -0.213 0.00 0.00 -0.082 NA ATOM 30 O LIG 1 2.697 7.294 -0.062 0.00 0.00 -0.363 OA ATOM 31 C LIG 1 1.358 7.099 -0.004 0.00 0.00 +0.230 A ATOM 32 C LIG 1 1.085 5.762 -0.118 0.00 0.00 +0.069 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 5 25 BRANCH 8 33 ATOM 33 C LIG 1 1.550 0.274 -0.607 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 2.486 -0.582 0.273 0.00 0.00 +0.009 C ATOM 35 C LIG 1 3.566 -1.229 -0.619 0.00 0.00 +0.005 C ATOM 36 C LIG 1 4.173 -2.462 0.038 0.00 0.00 +0.003 C ATOM 37 C LIG 1 3.120 -3.568 0.229 0.00 0.00 -0.014 C ATOM 38 C LIG 1 3.546 -4.512 1.355 0.00 0.00 +0.007 C ATOM 39 C LIG 1 1.709 -3.002 0.470 0.00 0.00 +0.003 C ATOM 40 C LIG 1 1.747 -1.628 1.133 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 9