REMARK Name = BDB027265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.608 -0.464 -1.085 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.309 -0.147 -1.518 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.121 1.159 -1.976 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.072 2.125 -2.029 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.316 1.809 -1.611 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.611 0.527 -1.153 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.319 2.894 -1.697 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.446 2.944 -0.855 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.375 3.979 -0.965 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -6.439 3.992 -0.150 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.205 4.986 -1.904 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -6.102 5.976 -2.006 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.102 4.974 -2.744 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.168 3.937 -2.637 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 0.702 -1.103 -1.494 0.00 0.00 -0.326 N ATOM 16 C LIG 1 1.444 -1.245 -0.223 0.00 0.00 +0.136 C ATOM 17 C LIG 1 2.820 -0.490 -0.183 0.00 0.00 +0.110 C ATOM 18 C LIG 1 3.609 -0.884 -1.445 0.00 0.00 +0.034 C ATOM 19 C LIG 1 2.815 -0.659 -2.734 0.00 0.00 +0.021 C ATOM 20 C LIG 1 1.463 -1.360 -2.718 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 C LIG 1 3.513 -0.929 1.155 0.00 0.00 +0.237 C ATOM 22 N LIG 1 4.808 -0.544 1.441 0.00 0.00 -0.300 N ATOM 23 C LIG 1 5.399 -0.921 2.720 0.00 0.00 +0.108 C ATOM 24 C LIG 1 6.878 -0.593 2.589 0.00 0.00 +0.020 C ATOM 25 C LIG 1 6.880 0.565 1.604 0.00 0.00 +0.020 C ATOM 26 C LIG 1 5.784 0.167 0.625 0.00 0.00 +0.108 C ATOM 27 O LIG 1 2.874 -1.575 1.996 0.00 0.00 -0.274 OA ENDBRANCH 17 21 BRANCH 17 28 ATOM 28 N LIG 1 2.612 0.987 -0.152 0.00 0.00 -0.316 NA ATOM 29 H LIG 1 3.364 1.427 0.376 0.00 0.00 +0.119 HD ATOM 30 H LIG 1 1.769 1.184 0.392 0.00 0.00 +0.119 HD ENDBRANCH 17 28 ENDBRANCH 2 15 BRANCH 1 31 ATOM 31 C LIG 1 -1.987 -1.864 -0.651 0.00 0.00 +0.161 C BRANCH 31 36 ATOM 32 C LIG 1 -5.194 -2.025 2.982 0.00 0.00 +0.147 A ATOM 33 C LIG 1 -3.922 -1.998 2.385 0.00 0.00 +0.147 A ATOM 34 N LIG 1 -2.646 -2.048 2.909 0.00 0.00 -0.231 NA ATOM 35 C LIG 1 -1.851 -1.994 1.860 0.00 0.00 +0.202 A ATOM 36 N LIG 1 -2.553 -1.898 0.687 0.00 0.00 -0.310 N ATOM 37 C LIG 1 -3.885 -1.925 1.002 0.00 0.00 +0.166 A ATOM 38 N LIG 1 -4.934 -1.883 0.163 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 -6.096 -1.930 0.845 0.00 0.00 +0.225 A ATOM 40 N LIG 1 -6.284 -2.004 2.181 0.00 0.00 -0.219 NA BRANCH 32 41 ATOM 41 N LIG 1 -5.388 -2.095 4.355 0.00 0.00 -0.341 N ATOM 42 H LIG 1 -6.294 -2.474 4.594 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 -4.579 -2.445 4.857 0.00 0.00 +0.144 HD ENDBRANCH 32 41 ENDBRANCH 31 36 ENDBRANCH 1 31 TORSDOF 7