REMARK Name = BDB000434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.252 1.583 0.240 0.00 0.00 -0.004 A ATOM 2 C LIG 1 -3.313 2.243 -0.454 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -4.612 2.195 0.106 0.00 0.00 +0.083 A ATOM 4 C LIG 1 -5.665 2.832 -0.552 0.00 0.00 +0.081 A ATOM 5 C LIG 1 -5.451 3.518 -1.762 0.00 0.00 +0.014 A ATOM 6 C LIG 1 -4.185 3.574 -2.320 0.00 0.00 +0.001 A ATOM 7 N LIG 1 -4.858 1.556 1.256 0.00 0.00 -0.254 NA ATOM 8 C LIG 1 -3.844 0.935 1.892 0.00 0.00 +0.116 A ATOM 9 C LIG 1 -3.128 2.943 -1.672 0.00 0.00 +0.010 A ATOM 10 C LIG 1 -2.530 0.908 1.446 0.00 0.00 -0.017 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 0.852 0.637 -1.721 0.00 0.00 +0.122 A ATOM 12 C LIG 1 -0.453 0.640 -1.219 0.00 0.00 +0.054 A ATOM 13 C LIG 1 -0.878 1.609 -0.296 0.00 0.00 -0.013 A ATOM 14 C LIG 1 0.033 2.594 0.108 0.00 0.00 +0.009 A ATOM 15 C LIG 1 1.336 2.596 -0.388 0.00 0.00 +0.004 A ATOM 16 C LIG 1 1.747 1.618 -1.297 0.00 0.00 +0.046 A BRANCH 11 17 ATOM 17 O LIG 1 1.120 -0.385 -2.589 0.00 0.00 -0.487 OA BRANCH 17 18 ATOM 18 C LIG 1 2.384 -0.404 -3.258 0.00 0.00 +0.264 C BRANCH 18 22 ATOM 19 C LIG 1 5.637 -2.087 -0.937 0.00 0.00 -0.037 A ATOM 20 C LIG 1 4.316 -2.477 -0.685 0.00 0.00 +0.004 A ATOM 21 C LIG 1 3.264 -1.940 -1.431 0.00 0.00 +0.007 A ATOM 22 C LIG 1 3.507 -0.988 -2.429 0.00 0.00 -0.010 A ATOM 23 C LIG 1 4.831 -0.607 -2.687 0.00 0.00 +0.007 A ATOM 24 C LIG 1 5.885 -1.146 -1.944 0.00 0.00 +0.004 A BRANCH 19 25 ATOM 25 C LIG 1 6.774 -2.656 -0.122 0.00 0.00 +0.155 C BRANCH 25 27 ATOM 26 O LIG 1 6.942 -0.593 1.210 0.00 0.00 -0.251 OA ATOM 27 C LIG 1 7.239 -1.756 0.996 0.00 0.00 +0.309 C BRANCH 27 28 ATOM 28 O LIG 1 8.120 -2.383 1.808 0.00 0.00 -0.480 OA ATOM 29 H LIG 1 8.345 -1.700 2.475 0.00 0.00 +0.295 HD ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 19 25 ENDBRANCH 18 22 ENDBRANCH 17 18 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 4 30 ATOM 30 C LIG 1 -7.045 2.779 0.048 0.00 0.00 +0.419 C ATOM 31 F LIG 1 -7.548 1.518 0.164 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -7.131 3.353 1.281 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -7.967 3.451 -0.711 0.00 0.00 -0.166 F ENDBRANCH 4 30 BRANCH 10 34 ATOM 34 C LIG 1 -1.489 0.193 2.281 0.00 0.00 +0.072 C BRANCH 34 35 ATOM 35 C LIG 1 -1.738 -1.290 2.449 0.00 0.00 -0.043 A ATOM 36 C LIG 1 -1.509 -2.175 1.386 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -1.746 -3.542 1.536 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -2.212 -4.040 2.751 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -2.441 -3.171 3.817 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -2.204 -1.804 3.668 0.00 0.00 +0.004 A ENDBRANCH 34 35 ENDBRANCH 10 34 TORSDOF 10