REMARK Name = BDB049772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.159 -1.056 -1.088 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.901 -0.409 -2.078 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -2.167 0.112 -1.796 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -2.717 -0.016 -0.515 0.00 0.00 -0.041 A ATOM 5 C LIG 1 -1.960 -0.651 0.480 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.693 -1.173 0.194 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.058 -1.521 -1.501 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 1.871 -2.179 -0.524 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 3.184 -2.601 -1.182 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 3.317 -0.179 -3.527 0.00 0.00 +0.088 C ATOM 11 C LIG 1 4.142 -0.487 -2.347 0.00 0.00 +0.126 A ATOM 12 C LIG 1 4.118 -1.458 -1.368 0.00 0.00 +0.086 A ATOM 13 N LIG 1 5.151 -1.242 -0.483 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 5.757 -0.164 -0.945 0.00 0.00 +0.228 A ATOM 15 O LIG 1 5.188 0.349 -2.082 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 6.929 0.533 -0.420 0.00 0.00 +0.037 A ATOM 17 C LIG 1 7.427 1.703 -1.014 0.00 0.00 +0.013 A ATOM 18 C LIG 1 8.550 2.349 -0.489 0.00 0.00 +0.001 A ATOM 19 C LIG 1 9.190 1.832 0.636 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.710 0.672 1.237 0.00 0.00 +0.001 A ATOM 21 C LIG 1 7.586 0.028 0.713 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -4.085 0.568 -0.207 0.00 0.00 +0.093 C BRANCH 22 23 ATOM 23 C LIG 1 -5.026 -0.405 0.423 0.00 0.00 +0.083 A ATOM 24 N LIG 1 -5.677 -0.230 1.639 0.00 0.00 -0.216 N ATOM 25 N LIG 1 -6.136 -1.431 2.069 0.00 0.00 -0.060 NA ATOM 26 N LIG 1 -6.035 -2.301 1.079 0.00 0.00 -0.122 NA ATOM 27 C LIG 1 -5.391 -1.692 0.036 0.00 0.00 +0.193 A BRANCH 24 28 ATOM 28 C LIG 1 -5.929 0.938 2.411 0.00 0.00 +0.067 A ATOM 29 C LIG 1 -5.935 2.215 1.836 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -6.201 3.339 2.625 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -6.478 3.195 3.983 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.504 1.926 4.556 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -6.241 0.799 3.773 0.00 0.00 +0.028 A ENDBRANCH 24 28 BRANCH 27 34 ATOM 34 C LIG 1 -5.128 -2.393 -1.207 0.00 0.00 +0.359 C ATOM 35 O LIG 1 -5.186 -3.602 -1.377 0.00 0.00 -0.243 OA BRANCH 34 36 ATOM 36 O LIG 1 -4.840 -1.593 -2.262 0.00 0.00 -0.476 OA ATOM 37 H LIG 1 -4.688 -2.244 -2.978 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 27 34 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 10