REMARK Name = BDB035818 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.461 -1.742 -0.142 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.124 -0.682 0.556 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.376 0.222 1.200 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.579 -0.845 0.438 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.581 -0.025 0.924 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.909 -0.397 0.677 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.176 -1.584 -0.051 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.144 -2.409 -0.536 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.837 -2.010 -0.277 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.545 -2.663 -0.652 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.191 -1.113 -0.170 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.788 -0.940 -0.068 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.852 -1.956 -0.328 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.333 -3.186 -0.782 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.702 -3.399 -0.928 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.607 -2.382 -0.620 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -7.335 0.660 -0.169 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.091 0.564 -1.078 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.261 0.065 0.158 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -6.642 -0.336 0.788 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -4.622 1.272 0.985 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.019 1.224 2.213 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -3.788 0.084 3.057 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -3.648 2.502 2.498 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.029 3.298 1.526 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.641 2.523 0.571 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -9.211 1.090 -1.640 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -8.579 0.195 -0.734 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.433 -3.661 -1.318 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.799 -4.748 -0.795 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.752 -3.988 -1.375 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.006 -3.572 -2.607 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.052 0.461 1.171 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.807 1.004 0.045 0.00 0.00 -0.311 NA ATOM 35 H LIG 1 5.180 1.571 -0.522 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 6.909 1.843 0.509 0.00 0.00 +0.087 C BRANCH 36 37 ATOM 37 C LIG 1 7.787 2.376 -0.615 0.00 0.00 -0.020 C ATOM 38 C LIG 1 7.988 1.560 -1.879 0.00 0.00 +0.008 C ATOM 39 C LIG 1 7.181 2.829 -1.931 0.00 0.00 +0.008 C ATOM 40 C LIG 1 8.975 3.160 -0.107 0.00 0.00 +0.012 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9