REMARK Name = BDB010330 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.281 -1.437 0.676 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.891 -1.450 0.774 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.289 -1.649 2.007 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.067 -1.686 1.914 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.333 -1.556 0.635 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.957 -1.814 3.161 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.283 -1.791 2.978 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.177 -1.328 -0.090 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.959 -1.626 1.827 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -3.088 -1.969 4.207 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -2.461 -2.154 5.381 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.466 -2.188 5.539 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -3.411 -2.284 6.315 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -3.225 -2.465 7.507 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -4.637 -2.178 5.705 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.378 -1.970 4.311 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 2.559 -1.635 0.040 0.00 0.00 -0.298 N ATOM 18 C LIG 1 3.718 -1.217 0.886 0.00 0.00 +0.077 C ATOM 19 C LIG 1 4.645 -2.443 0.905 0.00 0.00 +0.024 C ATOM 20 C LIG 1 4.370 -3.112 -0.425 0.00 0.00 +0.021 C ATOM 21 C LIG 1 2.864 -2.956 -0.554 0.00 0.00 +0.108 C BRANCH 18 22 ATOM 22 C LIG 1 4.384 0.017 0.234 0.00 0.00 +0.028 C BRANCH 22 23 ATOM 23 C LIG 1 4.979 1.070 1.211 0.00 0.00 -0.036 C ATOM 24 C LIG 1 5.681 2.158 0.373 0.00 0.00 +0.010 C ATOM 25 C LIG 1 6.012 0.446 2.162 0.00 0.00 +0.010 C ATOM 26 C LIG 1 3.867 1.744 2.035 0.00 0.00 +0.010 C ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 5 17 BRANCH 1 27 ATOM 27 N LIG 1 -2.971 -1.283 -0.517 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -2.511 -0.699 -1.198 0.00 0.00 +0.148 HD BRANCH 27 30 ATOM 29 C LIG 1 -4.981 -1.554 -1.826 0.00 0.00 +0.028 C ATOM 30 C LIG 1 -4.428 -1.113 -0.469 0.00 0.00 +0.072 C BRANCH 30 31 ATOM 31 C LIG 1 -4.801 0.337 -0.108 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -4.534 1.482 -1.118 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -6.036 1.505 -1.444 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -6.295 0.751 -0.129 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 1 27 BRANCH 8 35 ATOM 35 C LIG 1 0.110 -1.009 -1.504 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -0.137 0.485 -1.800 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -0.530 0.667 -3.279 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -0.013 1.962 -3.910 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -0.005 3.152 -2.948 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -1.426 3.612 -2.613 0.00 0.00 +0.007 C ATOM 41 C LIG 1 0.799 2.846 -1.672 0.00 0.00 +0.003 C ATOM 42 C LIG 1 1.070 1.358 -1.440 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 9