REMARK Name = BDB027283 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.671 -0.735 -1.527 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.944 -0.177 -1.712 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -3.069 -1.024 -1.690 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.917 -2.396 -1.495 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.693 -2.952 -1.352 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.621 -2.125 -1.363 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.056 -3.334 -1.436 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -5.308 -2.956 -0.916 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -6.365 -3.864 -0.871 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -7.544 -3.469 -0.370 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -6.204 -5.161 -1.336 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -7.225 -6.028 -1.291 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.981 -5.571 -1.847 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.917 -4.663 -1.893 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 2.328 1.026 -0.019 0.00 0.00 +0.092 C ATOM 16 C LIG 1 1.062 0.107 -0.114 0.00 0.00 +0.134 C ATOM 17 N LIG 1 0.473 0.100 -1.485 0.00 0.00 -0.326 N ATOM 18 C LIG 1 1.478 -0.280 -2.495 0.00 0.00 +0.105 C ATOM 19 C LIG 1 2.556 0.802 -2.584 0.00 0.00 +0.021 C ATOM 20 C LIG 1 2.629 1.726 -1.363 0.00 0.00 +0.033 C BRANCH 15 21 ATOM 21 N LIG 1 2.134 2.082 1.009 0.00 0.00 -0.318 NA ATOM 22 H LIG 1 1.772 1.667 1.869 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 1.377 2.709 0.706 0.00 0.00 +0.119 HD ENDBRANCH 15 21 BRANCH 15 24 ATOM 24 C LIG 1 3.547 0.129 0.350 0.00 0.00 +0.157 C ATOM 25 O LIG 1 3.743 -0.927 -0.266 0.00 0.00 -0.295 OA BRANCH 24 26 ATOM 26 C LIG 1 4.537 0.579 1.439 0.00 0.00 +0.054 C ATOM 27 C LIG 1 5.471 1.651 0.882 0.00 0.00 +0.015 C BRANCH 26 29 ATOM 28 C LIG 1 6.134 -0.341 3.221 0.00 0.00 +0.004 C ATOM 29 C LIG 1 5.318 -0.640 1.971 0.00 0.00 +0.007 C ENDBRANCH 26 29 ENDBRANCH 24 26 ENDBRANCH 15 24 ENDBRANCH 1 17 BRANCH 2 30 ATOM 30 C LIG 1 -2.153 1.300 -1.946 0.00 0.00 +0.161 C BRANCH 30 31 ATOM 31 N LIG 1 -1.875 2.102 -0.771 0.00 0.00 -0.310 N ATOM 32 C LIG 1 -2.533 2.064 0.426 0.00 0.00 +0.166 A ATOM 33 C LIG 1 -1.867 2.984 1.222 0.00 0.00 +0.147 A ATOM 34 C LIG 1 -2.333 3.130 2.540 0.00 0.00 +0.147 A ATOM 35 N LIG 1 -3.368 2.362 2.948 0.00 0.00 -0.219 NA ATOM 36 C LIG 1 -3.929 1.515 2.057 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -0.834 3.584 0.527 0.00 0.00 -0.231 NA ATOM 38 N LIG 1 -3.583 1.299 0.772 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 -0.912 3.072 -0.684 0.00 0.00 +0.202 A BRANCH 34 40 ATOM 40 N LIG 1 -1.772 4.011 3.451 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -0.839 4.326 3.216 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -1.975 3.770 4.412 0.00 0.00 +0.144 HD ENDBRANCH 34 40 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 9