REMARK Name = BDB042858 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.671 -1.885 -2.623 0.00 0.00 +0.280 A ATOM 2 C LIG 1 0.811 -2.805 -2.002 0.00 0.00 +0.187 A ATOM 3 N LIG 1 0.977 -4.123 -2.269 0.00 0.00 -0.214 NA ATOM 4 C LIG 1 1.935 -4.451 -3.152 0.00 0.00 +0.247 A ATOM 5 N LIG 1 2.731 -3.590 -3.810 0.00 0.00 -0.134 NA ATOM 6 N LIG 1 2.603 -2.278 -3.535 0.00 0.00 -0.106 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -0.211 -2.477 -1.134 0.00 0.00 -0.310 N ATOM 8 C LIG 1 -0.848 -1.167 -1.071 0.00 0.00 +0.116 C ATOM 9 C LIG 1 -2.054 -1.384 -0.157 0.00 0.00 +0.013 C ATOM 10 C LIG 1 -1.873 -0.851 1.297 0.00 0.00 +0.094 C ATOM 11 N LIG 1 -2.540 0.381 0.853 0.00 0.00 -0.297 NA ATOM 12 C LIG 1 -3.199 -0.336 -0.247 0.00 0.00 +0.094 C ATOM 13 C LIG 1 -2.402 -2.854 -0.314 0.00 0.00 +0.030 C ATOM 14 C LIG 1 -1.037 -3.517 -0.525 0.00 0.00 +0.107 C BRANCH 11 15 ATOM 15 C LIG 1 -3.414 1.034 1.856 0.00 0.00 +0.073 C BRANCH 15 16 ATOM 16 C LIG 1 -4.848 0.472 2.162 0.00 0.00 +0.001 C ATOM 17 C LIG 1 -4.848 -0.952 2.728 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -5.610 1.365 3.159 0.00 0.00 +0.009 C ENDBRANCH 15 16 BRANCH 15 19 ATOM 19 C LIG 1 -3.494 2.538 1.423 0.00 0.00 +0.096 C BRANCH 19 20 ATOM 20 N LIG 1 -2.176 3.105 1.088 0.00 0.00 -0.328 NA ATOM 21 H LIG 1 -2.303 3.865 0.422 0.00 0.00 +0.118 HD ATOM 22 H LIG 1 -1.667 2.365 0.592 0.00 0.00 +0.118 HD ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 11 15 ENDBRANCH 2 7 BRANCH 1 23 ATOM 23 O LIG 1 1.553 -0.527 -2.338 0.00 0.00 -0.434 OA BRANCH 23 25 ATOM 24 C LIG 1 3.671 0.497 -1.761 0.00 0.00 +0.082 A ATOM 25 C LIG 1 2.635 0.251 -2.674 0.00 0.00 +0.143 A ATOM 26 C LIG 1 2.651 0.858 -3.936 0.00 0.00 +0.050 A ATOM 27 C LIG 1 3.752 1.629 -4.313 0.00 0.00 +0.042 A ATOM 28 C LIG 1 4.816 1.796 -3.428 0.00 0.00 +0.124 A ATOM 29 F LIG 1 5.883 2.508 -3.810 0.00 0.00 -0.205 F ATOM 30 C LIG 1 4.791 1.234 -2.157 0.00 0.00 +0.055 A BRANCH 24 32 ATOM 31 N LIG 1 3.374 0.597 0.718 0.00 0.00 -0.295 N ATOM 32 C LIG 1 3.677 -0.138 -0.437 0.00 0.00 +0.250 C ATOM 33 O LIG 1 3.988 -1.328 -0.416 0.00 0.00 -0.270 OA BRANCH 31 34 ATOM 34 C LIG 1 2.832 1.973 0.821 0.00 0.00 +0.070 C ATOM 35 C LIG 1 1.505 2.178 0.091 0.00 0.00 +0.028 C ATOM 36 C LIG 1 3.848 3.060 0.475 0.00 0.00 +0.028 C ENDBRANCH 31 34 BRANCH 31 38 ATOM 37 C LIG 1 2.165 -0.801 2.366 0.00 0.00 +0.024 C ATOM 38 C LIG 1 3.482 -0.146 1.980 0.00 0.00 +0.105 C ENDBRANCH 31 38 ENDBRANCH 24 32 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 10