REMARK Name = BDB039154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.896 2.119 0.999 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -4.900 1.985 0.048 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -3.878 0.948 0.171 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -2.740 1.065 -0.811 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -2.705 2.076 -1.798 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -1.626 2.170 -2.687 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.566 1.260 -2.647 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.616 0.252 -1.676 0.00 0.00 +0.069 A ATOM 9 N LIG 1 0.237 -0.789 -1.337 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.351 -1.488 -0.296 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -1.487 -0.919 0.058 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -3.814 3.097 -1.857 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -1.671 0.146 -0.779 0.00 0.00 +0.094 A ATOM 14 C LIG 1 -5.113 2.548 -1.276 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -6.884 2.832 0.863 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 0.195 -2.714 0.383 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.768 -3.908 0.217 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -0.657 -4.943 1.340 0.00 0.00 +0.001 C ATOM 19 C LIG 1 0.739 -4.981 1.948 0.00 0.00 +0.000 C ATOM 20 C LIG 1 1.133 -3.632 2.553 0.00 0.00 +0.001 C ATOM 21 C LIG 1 0.470 -2.436 1.866 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 -6.661 1.483 3.120 0.00 0.00 +0.282 C ATOM 23 O LIG 1 -5.659 1.369 2.111 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 1.527 -1.024 -1.982 0.00 0.00 +0.086 C ATOM 25 C LIG 1 1.544 -2.328 -2.788 0.00 0.00 +0.031 C BRANCH 24 26 ATOM 26 C LIG 1 2.752 -0.903 -1.043 0.00 0.00 +0.028 C BRANCH 26 27 ATOM 27 C LIG 1 2.807 0.372 -0.168 0.00 0.00 -0.009 C ATOM 28 C LIG 1 2.962 1.672 -0.983 0.00 0.00 +0.004 C ATOM 29 C LIG 1 4.396 2.194 -1.036 0.00 0.00 +0.015 C ATOM 30 C LIG 1 5.025 2.392 0.352 0.00 0.00 +0.098 C ATOM 31 C LIG 1 4.360 1.558 1.451 0.00 0.00 +0.015 C ATOM 32 C LIG 1 3.910 0.212 0.897 0.00 0.00 +0.004 C BRANCH 30 33 ATOM 33 C LIG 1 5.118 3.858 0.736 0.00 0.00 +0.308 C ATOM 34 O LIG 1 6.180 4.440 0.898 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 3.932 4.486 0.879 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 3.149 3.924 0.740 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 TORSDOF 7