REMARK Name = BDB039135 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.838 -0.143 0.220 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.664 0.479 -0.166 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.364 -0.062 0.223 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.182 0.593 -0.443 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.334 1.671 -1.345 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.218 2.247 -1.963 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.921 1.798 -1.692 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.776 0.739 -0.785 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.330 0.047 -0.288 0.00 0.00 -0.324 N ATOM 10 C LIG 1 0.144 -0.898 0.615 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.465 -0.842 0.669 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.718 2.164 -1.687 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.870 0.151 -0.172 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.708 1.878 -0.562 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.952 0.353 0.092 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.562 -1.913 1.466 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -0.950 -3.215 0.762 0.00 0.00 +0.026 C ATOM 18 C LIG 1 -2.063 -3.828 1.629 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -2.260 -2.864 2.808 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -1.774 -1.516 2.284 0.00 0.00 +0.012 C BRANCH 18 21 ATOM 21 C LIG 1 -3.333 -4.005 0.827 0.00 0.00 +0.308 C ATOM 22 O LIG 1 -4.348 -3.332 0.893 0.00 0.00 -0.251 OA BRANCH 21 23 ATOM 23 O LIG 1 -3.247 -5.032 -0.040 0.00 0.00 -0.480 OA ATOM 24 H LIG 1 -4.118 -5.046 -0.489 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 18 21 ENDBRANCH 10 16 BRANCH 1 26 ATOM 25 C LIG 1 7.809 -2.053 1.168 0.00 0.00 +0.282 C ATOM 26 O LIG 1 6.622 -1.373 0.762 0.00 0.00 -0.454 OA ENDBRANCH 1 26 BRANCH 9 27 ATOM 27 C LIG 1 -1.695 0.390 -0.708 0.00 0.00 +0.090 C ATOM 28 C LIG 1 -2.537 -0.801 -1.162 0.00 0.00 +0.031 C BRANCH 27 29 ATOM 29 C LIG 1 -2.356 1.368 0.286 0.00 0.00 +0.060 C BRANCH 29 30 ATOM 30 C LIG 1 -3.742 1.832 -0.112 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -3.964 2.935 -0.964 0.00 0.00 -0.047 A ATOM 32 C LIG 1 -2.837 3.757 -1.526 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -5.283 3.281 -1.306 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -6.367 2.557 -0.811 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.151 1.475 0.033 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.850 1.116 0.380 0.00 0.00 +0.004 A ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 9 27 TORSDOF 7