REMARK Name = BDB024406 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.185 -1.478 -0.422 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.884 -2.900 0.038 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.810 -3.167 1.418 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.537 -4.453 1.887 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.348 -5.496 0.986 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.444 -5.257 -0.383 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.718 -3.970 -0.855 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.707 -1.186 -1.866 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.523 -0.685 -2.151 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.615 -0.417 -3.124 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 1.473 -1.366 -2.826 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -1.692 -0.434 -1.443 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -2.586 0.272 -2.170 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -3.777 0.585 -1.600 0.00 0.00 +0.123 A ATOM 15 C LIG 1 -4.148 0.197 -0.325 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -3.217 -0.538 0.407 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -1.980 -0.864 -0.160 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 -5.457 0.550 0.283 0.00 0.00 +0.093 A ATOM 19 N LIG 1 -5.518 0.727 1.567 0.00 0.00 -0.168 NA ATOM 20 N LIG 1 -6.736 1.059 2.117 0.00 0.00 -0.232 N ATOM 21 C LIG 1 -6.736 1.298 3.548 0.00 0.00 +0.176 C ATOM 22 C LIG 1 -7.896 1.257 1.381 0.00 0.00 +0.267 A ATOM 23 O LIG 1 -8.979 1.611 1.838 0.00 0.00 -0.266 OA ATOM 24 C LIG 1 -7.785 1.001 -0.069 0.00 0.00 +0.074 A ATOM 25 C LIG 1 -6.622 0.654 -0.623 0.00 0.00 +0.035 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 2.653 -1.256 -0.325 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 3.072 -1.727 -1.133 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.006 0.168 -0.363 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 5.174 -0.179 0.954 0.00 0.00 +0.014 C ATOM 30 C LIG 1 4.538 0.379 -0.326 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 4.877 1.852 -0.519 0.00 0.00 -0.043 A ATOM 32 C LIG 1 5.479 2.275 -1.715 0.00 0.00 +0.005 A ATOM 33 C LIG 1 5.788 3.622 -1.921 0.00 0.00 +0.019 A ATOM 34 C LIG 1 5.497 4.568 -0.935 0.00 0.00 +0.052 A ATOM 35 C LIG 1 4.894 4.159 0.258 0.00 0.00 +0.019 A ATOM 36 C LIG 1 4.584 2.812 0.463 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 5.814 5.950 -1.145 0.00 0.00 +0.099 C ATOM 38 N LIG 1 6.068 7.069 -1.315 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9