REMARK Name = BDB057298 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.672 -1.868 -0.535 0.00 0.00 +0.163 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.166 -1.670 -0.253 0.00 0.00 +0.237 C ATOM 3 N LIG 1 0.355 -0.423 -0.635 0.00 0.00 -0.288 N ATOM 4 C LIG 1 1.618 -0.003 -0.011 0.00 0.00 +0.162 C ATOM 5 C LIG 1 2.680 -0.675 -0.876 0.00 0.00 +0.033 C ATOM 6 C LIG 1 2.011 -0.812 -2.254 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.577 -0.309 -2.065 0.00 0.00 +0.109 C ATOM 8 O LIG 1 0.520 -2.558 0.260 0.00 0.00 -0.274 OA BRANCH 4 9 ATOM 9 C LIG 1 1.645 -0.120 1.533 0.00 0.00 +0.234 C ATOM 10 N LIG 1 2.793 0.074 2.242 0.00 0.00 -0.310 N ATOM 11 H LIG 1 2.613 0.042 3.240 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 0.613 -0.274 2.196 0.00 0.00 -0.274 OA BRANCH 10 13 ATOM 13 C LIG 1 4.112 0.505 1.807 0.00 0.00 +0.082 C ATOM 14 C LIG 1 4.147 1.955 1.269 0.00 0.00 +0.058 C ATOM 15 C LIG 1 5.566 2.341 1.544 0.00 0.00 -0.042 A ATOM 16 C LIG 1 6.135 1.497 2.504 0.00 0.00 -0.042 A ATOM 17 C LIG 1 7.431 1.692 2.949 0.00 0.00 +0.004 A ATOM 18 C LIG 1 8.167 2.746 2.403 0.00 0.00 +0.000 A ATOM 19 C LIG 1 7.597 3.590 1.435 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.284 3.396 1.004 0.00 0.00 +0.004 A ATOM 21 C LIG 1 5.153 0.461 2.954 0.00 0.00 +0.058 C ENDBRANCH 10 13 ENDBRANCH 4 9 ENDBRANCH 1 2 BRANCH 1 23 ATOM 22 C LIG 1 -3.002 -3.937 -0.898 0.00 0.00 +0.230 C ATOM 23 N LIG 1 -1.951 -3.287 -0.301 0.00 0.00 -0.302 N ATOM 24 H LIG 1 -1.282 -3.789 0.277 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 -3.788 -3.366 -1.653 0.00 0.00 -0.274 OA BRANCH 22 26 ATOM 26 C LIG 1 -3.100 -5.441 -0.556 0.00 0.00 +0.137 C ATOM 27 C LIG 1 -1.998 -6.198 -1.293 0.00 0.00 +0.034 C BRANCH 26 29 ATOM 28 C LIG 1 -5.463 -5.631 -0.024 0.00 0.00 +0.101 C ATOM 29 N LIG 1 -4.410 -5.989 -0.971 0.00 0.00 -0.309 NA ATOM 30 H LIG 1 -4.639 -5.562 -1.874 0.00 0.00 +0.122 HD ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 1 23 BRANCH 1 31 ATOM 31 C LIG 1 -2.532 -0.982 0.381 0.00 0.00 +0.067 C BRANCH 31 32 ATOM 32 C LIG 1 -2.753 0.414 -0.155 0.00 0.00 -0.045 A ATOM 33 C LIG 1 -3.581 0.622 -1.264 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -3.800 1.912 -1.754 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -3.194 3.015 -1.143 0.00 0.00 -0.036 A ATOM 36 C LIG 1 -2.366 2.808 -0.034 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -2.150 1.518 0.458 0.00 0.00 +0.004 A BRANCH 35 38 ATOM 38 C LIG 1 -3.447 4.415 -1.646 0.00 0.00 +0.162 C BRANCH 38 39 ATOM 39 P LIG 1 -4.366 5.507 -0.564 0.00 0.00 +0.332 P ATOM 40 O LIG 1 -3.768 5.824 0.766 0.00 0.00 -0.258 OA BRANCH 39 41 ATOM 41 O LIG 1 -4.686 6.815 -1.438 0.00 0.00 -0.324 OA ATOM 42 H LIG 1 -4.850 6.649 -2.384 0.00 0.00 +0.220 HD ENDBRANCH 39 41 BRANCH 39 43 ATOM 43 O LIG 1 -5.847 4.904 -0.452 0.00 0.00 -0.324 OA ATOM 44 H LIG 1 -6.346 5.351 0.261 0.00 0.00 +0.220 HD ENDBRANCH 39 43 ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 12