REMARK Name = BDB010283 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.468 -1.397 -1.264 0.00 0.00 +0.202 A ATOM 2 N LIG 1 0.436 -0.928 -0.471 0.00 0.00 -0.303 N ATOM 3 C LIG 1 -0.746 -1.417 -0.987 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.347 -2.130 -2.107 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -1.181 -2.797 -2.916 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -2.455 -2.725 -2.510 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.934 -2.055 -1.437 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -2.094 -1.357 -0.649 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.003 -2.077 -2.284 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.487 -3.453 -3.332 0.00 0.00 +0.375 C ATOM 11 O LIG 1 -4.691 -3.480 -3.135 0.00 0.00 -0.242 OA BRANCH 10 12 ATOM 12 O LIG 1 -2.964 -4.126 -4.383 0.00 0.00 -0.475 OA ATOM 13 H LIG 1 -3.740 -4.541 -4.812 0.00 0.00 +0.296 HD ENDBRANCH 10 12 ENDBRANCH 6 10 BRANCH 8 14 ATOM 14 N LIG 1 -2.583 -0.643 0.440 0.00 0.00 -0.324 N ATOM 15 H LIG 1 -2.069 0.214 0.598 0.00 0.00 +0.148 HD BRANCH 14 16 ATOM 16 C LIG 1 -4.037 -0.443 0.531 0.00 0.00 +0.072 C ATOM 17 C LIG 1 -4.461 0.688 -0.409 0.00 0.00 +0.028 C BRANCH 16 18 ATOM 18 C LIG 1 -4.387 -0.155 1.999 0.00 0.00 +0.009 C ATOM 19 C LIG 1 -3.968 1.177 2.684 0.00 0.00 +0.005 C ATOM 20 C LIG 1 -5.242 1.045 3.545 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -5.846 0.206 2.399 0.00 0.00 +0.005 C ENDBRANCH 16 18 ENDBRANCH 14 16 ENDBRANCH 8 14 BRANCH 1 22 ATOM 22 N LIG 1 2.779 -1.129 -0.983 0.00 0.00 -0.289 N BRANCH 22 23 ATOM 23 C LIG 1 3.448 -2.182 -0.147 0.00 0.00 +0.122 C ATOM 24 C LIG 1 3.688 -3.489 -0.919 0.00 0.00 +0.035 C BRANCH 23 25 ATOM 25 C LIG 1 4.732 -1.651 0.506 0.00 0.00 +0.061 A ATOM 26 N LIG 1 5.931 -2.045 -0.002 0.00 0.00 -0.258 NA ATOM 27 C LIG 1 7.053 -1.553 0.568 0.00 0.00 +0.111 A ATOM 28 C LIG 1 7.050 -0.669 1.631 0.00 0.00 +0.020 A ATOM 29 C LIG 1 5.824 -0.264 2.143 0.00 0.00 +0.003 A ATOM 30 C LIG 1 4.651 -0.756 1.575 0.00 0.00 +0.025 A ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 31 ATOM 31 C LIG 1 3.581 -0.720 -2.157 0.00 0.00 +0.135 C BRANCH 31 33 ATOM 32 C LIG 1 3.854 1.787 -2.169 0.00 0.00 +0.005 C ATOM 33 C LIG 1 3.192 0.683 -2.540 0.00 0.00 -0.016 C ENDBRANCH 31 33 ENDBRANCH 22 31 ENDBRANCH 1 22 BRANCH 2 34 ATOM 34 C LIG 1 0.598 -0.114 0.724 0.00 0.00 +0.160 C BRANCH 34 35 ATOM 35 C LIG 1 0.111 1.314 0.589 0.00 0.00 -0.028 A ATOM 36 C LIG 1 0.115 2.010 -0.627 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -0.341 3.330 -0.697 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.801 3.990 0.450 0.00 0.00 +0.055 A ATOM 39 C LIG 1 -0.772 3.309 1.675 0.00 0.00 +0.013 A ATOM 40 C LIG 1 -0.318 1.990 1.743 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 -1.272 5.422 0.376 0.00 0.00 +0.417 C ATOM 42 F LIG 1 -0.256 6.311 0.548 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.848 5.734 -0.818 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.200 5.726 1.326 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 13