REMARK Name = BDB010818 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.325 0.573 0.466 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.500 1.273 -0.414 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.621 2.651 -0.513 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.234 3.172 -1.437 0.00 0.00 -0.210 NA ATOM 5 C LIG 1 0.912 2.140 -1.907 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -1.475 3.395 0.205 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.196 2.650 1.053 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.539 0.969 -1.269 0.00 0.00 -0.321 N ATOM 9 N LIG 1 -2.163 1.315 1.217 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -3.155 3.402 1.893 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.220 4.739 1.777 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -2.676 5.324 1.164 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.158 5.160 2.635 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -4.502 6.317 2.812 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -4.672 4.066 3.286 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.982 2.923 2.765 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -1.305 -0.810 0.597 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -1.262 -1.274 -0.302 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -1.684 -2.779 1.938 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -2.275 -1.434 1.509 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -3.656 -1.568 0.841 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -4.778 -2.333 1.589 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -4.573 -3.515 0.626 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -3.859 -2.554 -0.341 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 1.966 2.252 -2.973 0.00 0.00 +0.205 C BRANCH 25 26 ATOM 26 O LIG 1 2.590 3.527 -2.792 0.00 0.00 -0.382 OA ATOM 27 H LIG 1 1.917 4.096 -2.364 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 1.351 2.186 -4.377 0.00 0.00 +0.195 C BRANCH 28 29 ATOM 29 O LIG 1 0.912 0.864 -4.692 0.00 0.00 -0.392 OA ATOM 30 H LIG 1 0.546 0.905 -5.595 0.00 0.00 +0.210 HD ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 5 25 BRANCH 8 31 ATOM 31 C LIG 1 1.182 -0.321 -1.454 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 2.464 -0.514 -0.620 0.00 0.00 +0.009 C ATOM 33 C LIG 1 3.235 -1.748 -1.133 0.00 0.00 +0.005 C ATOM 34 C LIG 1 4.013 -2.496 -0.048 0.00 0.00 +0.003 C ATOM 35 C LIG 1 4.590 -1.580 1.033 0.00 0.00 -0.014 C ATOM 36 C LIG 1 5.728 -0.713 0.484 0.00 0.00 +0.007 C ATOM 37 C LIG 1 3.494 -0.723 1.691 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.195 -0.628 0.883 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 10