REMARK Name = BDB019631 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.106 -0.045 -0.931 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.341 -1.365 -1.078 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.575 -1.765 -0.544 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.355 -0.819 0.139 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.930 0.512 0.283 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.698 0.890 -0.265 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.045 -3.147 -0.704 0.00 0.00 -0.012 A ATOM 8 C LIG 1 -3.003 -3.509 -1.670 0.00 0.00 -0.025 A ATOM 9 C LIG 1 -3.626 -2.514 -2.605 0.00 0.00 +0.046 C ATOM 10 C LIG 1 -3.387 -4.847 -1.728 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -2.895 -5.821 -0.930 0.00 0.00 -0.263 NA ATOM 12 C LIG 1 -1.976 -5.448 -0.019 0.00 0.00 +0.111 A ATOM 13 C LIG 1 -1.527 -4.147 0.130 0.00 0.00 +0.028 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 2.387 -0.543 -1.636 0.00 0.00 -0.307 N ATOM 15 H LIG 1 2.274 -1.432 -1.171 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 1.407 0.416 -1.491 0.00 0.00 +0.244 C ATOM 17 O LIG 1 1.570 1.601 -1.761 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 3.733 -0.189 -2.028 0.00 0.00 +0.140 C BRANCH 18 23 ATOM 19 C LIG 1 5.407 1.373 1.016 0.00 0.00 +0.124 A ATOM 20 C LIG 1 6.185 0.304 1.476 0.00 0.00 +0.091 A ATOM 21 C LIG 1 6.180 -0.920 0.807 0.00 0.00 +0.124 A ATOM 22 C LIG 1 5.388 -1.072 -0.334 0.00 0.00 +0.051 A ATOM 23 C LIG 1 4.610 -0.011 -0.816 0.00 0.00 -0.023 A ATOM 24 C LIG 1 4.621 1.211 -0.126 0.00 0.00 +0.051 A BRANCH 19 26 ATOM 25 C LIG 1 4.732 3.630 1.339 0.00 0.00 +0.277 C ATOM 26 O LIG 1 5.498 2.511 1.771 0.00 0.00 -0.495 OA ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 O LIG 1 6.888 -2.035 1.161 0.00 0.00 -0.495 OA ATOM 28 C LIG 1 7.740 -1.919 2.295 0.00 0.00 +0.277 C ENDBRANCH 21 27 ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -2.804 1.518 0.991 0.00 0.00 +0.138 C BRANCH 29 30 ATOM 30 N LIG 1 -3.965 1.801 0.181 0.00 0.00 -0.329 N ATOM 31 H LIG 1 -3.778 1.884 -0.815 0.00 0.00 +0.147 HD BRANCH 30 32 ATOM 32 C LIG 1 -4.982 2.618 0.573 0.00 0.00 +0.090 C ATOM 33 C LIG 1 -5.307 2.878 2.017 0.00 0.00 +0.073 C ATOM 34 C LIG 1 -6.715 3.397 1.865 0.00 0.00 +0.031 C ATOM 35 C LIG 1 -6.681 4.037 0.490 0.00 0.00 +0.143 C ATOM 36 N LIG 1 -5.721 3.239 -0.297 0.00 0.00 -0.273 NA ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 9