REMARK Name = BDB039078 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.324 -0.147 -1.251 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.349 -0.659 -0.413 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.016 -0.074 -0.504 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.937 -0.855 0.203 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.228 -2.014 0.959 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.204 -2.732 1.594 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.870 -2.318 1.527 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.596 -1.159 0.792 0.00 0.00 +0.071 A ATOM 9 N LIG 1 -0.568 -0.466 0.510 0.00 0.00 -0.309 N ATOM 10 C LIG 1 -0.225 0.626 -0.258 0.00 0.00 +0.200 A ATOM 11 N LIG 1 1.065 0.658 -0.493 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 4.648 -2.518 1.036 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.592 -0.435 0.145 0.00 0.00 +0.096 A ATOM 14 C LIG 1 5.660 -1.399 0.803 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.103 0.648 -2.157 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 -1.151 1.526 -0.694 0.00 0.00 -0.300 N ATOM 17 C LIG 1 -1.012 2.855 -0.063 0.00 0.00 +0.122 C ATOM 18 C LIG 1 -2.330 3.617 -0.256 0.00 0.00 +0.115 C ATOM 19 C LIG 1 -2.896 3.448 -1.677 0.00 0.00 +0.018 C ATOM 20 C LIG 1 -1.840 2.932 -2.649 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -1.204 1.620 -2.175 0.00 0.00 +0.108 C BRANCH 18 22 ATOM 22 C LIG 1 -2.138 5.078 0.091 0.00 0.00 +0.309 C ATOM 23 O LIG 1 -1.061 5.637 0.220 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -3.309 5.737 0.263 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -4.104 5.185 0.136 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.598 -0.124 -1.813 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.566 -0.626 -0.963 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.906 -0.850 0.963 0.00 0.00 +0.092 C ATOM 29 C LIG 1 -2.413 0.089 2.061 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.902 -1.006 -0.204 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -4.094 -1.868 0.147 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -3.983 -3.265 0.139 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -5.076 -4.063 0.477 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.289 -3.473 0.827 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.410 -2.085 0.838 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.318 -1.285 0.499 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7