REMARK Name = BDB016751 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.266 -0.107 -0.024 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -4.085 -0.603 1.280 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.792 -0.942 1.700 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.664 -0.791 0.902 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.576 -1.236 1.719 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -1.008 -1.667 2.913 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.842 -0.299 -0.404 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.334 -1.470 2.874 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.880 -1.729 3.686 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.133 0.040 -0.840 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -10.200 0.871 0.277 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -8.895 0.859 -0.233 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -8.170 -0.325 -0.189 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -6.779 -0.690 -0.630 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -5.639 0.300 -0.508 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.670 -2.165 -0.315 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.861 -2.539 0.286 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -8.047 -3.487 0.574 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -5.724 -2.890 -0.572 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -6.143 -0.131 -1.870 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -8.760 -1.474 0.358 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -10.040 -1.498 0.866 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -10.759 -0.303 0.820 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -10.533 3.172 -0.232 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -11.035 1.955 0.306 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 0.816 -1.280 1.382 0.00 0.00 +0.031 C ATOM 27 C LIG 1 1.471 -0.436 0.568 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 2.909 -0.527 0.278 0.00 0.00 -0.025 A ATOM 29 C LIG 1 3.358 -0.248 -1.018 0.00 0.00 +0.008 A ATOM 30 C LIG 1 4.720 -0.296 -1.327 0.00 0.00 +0.004 A ATOM 31 C LIG 1 5.661 -0.618 -0.342 0.00 0.00 -0.046 A ATOM 32 C LIG 1 5.216 -0.876 0.960 0.00 0.00 +0.004 A ATOM 33 C LIG 1 3.853 -0.828 1.268 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 7.135 -0.649 -0.669 0.00 0.00 +0.050 C BRANCH 34 35 ATOM 35 C LIG 1 7.801 0.713 -0.409 0.00 0.00 +0.089 C BRANCH 35 36 ATOM 36 N LIG 1 9.221 0.753 -0.804 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 9.776 2.122 -0.698 0.00 0.00 +0.112 C ATOM 38 C LIG 1 10.582 2.358 0.589 0.00 0.00 +0.175 C ATOM 39 O LIG 1 11.701 1.472 0.725 0.00 0.00 -0.377 OA ATOM 40 C LIG 1 11.517 0.226 0.041 0.00 0.00 +0.175 C ATOM 41 C LIG 1 10.043 -0.200 -0.024 0.00 0.00 +0.112 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 7