REMARK Name = BDB031756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.663 2.558 -1.506 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.899 1.762 -2.381 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.089 0.931 -1.840 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.372 0.865 -0.483 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.424 -0.100 -0.363 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -1.745 -0.600 -1.560 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.363 1.683 0.394 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.958 0.052 -2.422 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -1.056 -0.161 -3.408 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.361 2.518 -0.134 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.045 -0.004 0.334 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.362 0.776 -0.606 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.734 2.104 -0.778 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.223 3.209 -1.661 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.770 3.450 -2.022 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.121 4.381 -1.338 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.011 3.956 -0.368 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.724 4.555 0.019 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.052 5.485 -1.851 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.752 2.950 -3.062 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.801 2.619 -0.026 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.507 1.875 0.894 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.114 0.546 1.069 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.591 -1.864 0.055 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.773 -1.314 0.626 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.946 -0.432 0.838 0.00 0.00 -0.278 N ATOM 27 H LIG 1 -1.630 0.062 1.664 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.100 -1.189 1.154 0.00 0.00 +0.187 A ATOM 29 C LIG 1 -3.345 -1.513 2.506 0.00 0.00 +0.256 A ATOM 30 N LIG 1 -4.401 -2.252 2.925 0.00 0.00 -0.217 NA ATOM 31 C LIG 1 -5.217 -2.681 1.937 0.00 0.00 +0.138 A ATOM 32 C LIG 1 -5.007 -2.388 0.592 0.00 0.00 +0.064 A ATOM 33 N LIG 1 -3.946 -1.640 0.199 0.00 0.00 -0.230 NA BRANCH 32 34 ATOM 34 C LIG 1 -5.931 -2.881 -0.498 0.00 0.00 +0.033 C ATOM 35 C LIG 1 -5.949 -4.408 -0.576 0.00 0.00 +0.014 C ATOM 36 C LIG 1 -7.345 -2.320 -0.336 0.00 0.00 +0.014 C ENDBRANCH 32 34 BRANCH 29 37 ATOM 37 O LIG 1 -2.454 -1.007 3.444 0.00 0.00 -0.477 OA ATOM 38 C LIG 1 -2.746 -1.433 4.771 0.00 0.00 +0.279 C ENDBRANCH 29 37 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6