REMARK Name = BDB038930 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.801 -2.700 0.615 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.144 -1.585 0.124 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.686 -1.603 0.155 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.033 -0.274 -0.128 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.788 0.872 -0.468 0.00 0.00 -0.039 A ATOM 6 C LIG 1 3.155 2.098 -0.713 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.764 2.227 -0.657 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.021 1.084 -0.337 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.332 0.835 -0.186 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.483 -0.512 0.104 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.693 -1.100 0.191 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.293 0.787 -0.509 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.629 -0.140 -0.082 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.772 -0.635 -0.786 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.244 -3.621 1.201 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.800 -1.215 0.312 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -2.264 -1.067 1.769 0.00 0.00 +0.026 C ATOM 18 C LIG 1 -3.593 -1.790 2.016 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -3.498 -3.266 1.610 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -3.028 -3.425 0.167 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.706 -2.702 -0.072 0.00 0.00 +0.011 C BRANCH 18 22 ATOM 22 C LIG 1 -4.006 -1.659 3.466 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -4.190 -2.559 4.268 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -4.210 -0.377 3.828 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -4.475 -0.441 4.770 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 7.853 -3.797 0.878 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.141 -2.665 0.377 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.415 1.815 -0.317 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -1.295 2.942 0.716 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -1.543 2.316 -1.768 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -2.869 2.983 -2.049 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -2.976 4.380 -2.064 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -4.207 4.992 -2.307 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.340 4.214 -2.536 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.244 2.824 -2.526 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.015 2.210 -2.283 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7