REMARK Name = BDB039184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.030 -1.452 -0.825 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -5.758 -1.985 -0.712 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -4.648 -1.042 -0.632 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -3.324 -1.655 -0.255 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.172 -3.047 -0.064 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -1.931 -3.588 0.297 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.800 -2.781 0.457 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.956 -1.405 0.251 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.088 -0.326 0.323 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.804 0.811 -0.013 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -2.066 0.508 -0.250 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -4.372 -3.952 -0.194 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -2.179 -0.847 -0.098 0.00 0.00 +0.094 A ATOM 14 C LIG 1 -5.437 -3.350 -1.107 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -7.286 -0.258 -0.714 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.270 2.219 -0.082 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.742 3.036 1.137 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -2.002 3.848 0.845 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -1.797 4.843 -0.310 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -0.729 4.392 -1.316 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.664 2.874 -1.423 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -1.421 6.219 0.216 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -0.752 6.423 1.216 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -1.867 7.226 -0.570 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -2.381 6.929 -1.345 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 -9.303 -1.887 -1.186 0.00 0.00 +0.282 C ATOM 27 O LIG 1 -7.976 -2.400 -1.074 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 1.335 -0.438 0.693 0.00 0.00 +0.086 C ATOM 29 C LIG 1 1.670 0.407 1.921 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 2.236 -0.257 -0.553 0.00 0.00 +0.031 C BRANCH 30 31 ATOM 31 C LIG 1 3.769 -0.558 -0.463 0.00 0.00 -0.030 C ATOM 32 C LIG 1 4.537 0.627 0.171 0.00 0.00 +0.009 C ATOM 33 C LIG 1 6.025 0.347 0.383 0.00 0.00 +0.032 C ATOM 34 C LIG 1 6.268 -0.938 1.178 0.00 0.00 +0.118 C ATOM 35 C LIG 1 5.553 -2.127 0.527 0.00 0.00 +0.032 C ATOM 36 C LIG 1 4.061 -1.854 0.326 0.00 0.00 +0.009 C ATOM 37 C LIG 1 4.253 -0.729 -1.929 0.00 0.00 +0.011 C BRANCH 34 38 ATOM 38 O LIG 1 7.683 -1.147 1.213 0.00 0.00 -0.380 OA ATOM 39 C LIG 1 8.102 -2.045 2.231 0.00 0.00 +0.194 C ENDBRANCH 34 38 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 8