REMARK Name = BDB010034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.839 -1.538 -0.380 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.764 -0.679 -0.208 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.356 -1.289 -0.734 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.102 -2.519 -1.165 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.675 -3.468 -1.711 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.964 -3.080 -1.773 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.501 -1.905 -1.384 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.703 -0.960 -0.855 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.438 -2.659 -0.954 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 5.778 -3.048 2.283 0.00 0.00 +0.044 C ATOM 11 C LIG 1 5.145 -2.050 1.359 0.00 0.00 -0.050 A ATOM 12 C LIG 1 3.832 -2.238 0.905 0.00 0.00 +0.015 A ATOM 13 C LIG 1 3.213 -1.297 0.069 0.00 0.00 +0.018 A ATOM 14 C LIG 1 3.936 -0.168 -0.331 0.00 0.00 +0.011 A ATOM 15 C LIG 1 5.239 0.035 0.128 0.00 0.00 +0.001 A ATOM 16 C LIG 1 5.836 -0.896 0.977 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 6 17 ATOM 17 C LIG 1 -2.892 -4.106 -2.367 0.00 0.00 +0.375 C ATOM 18 O LIG 1 -4.092 -3.974 -2.536 0.00 0.00 -0.242 OA BRANCH 17 19 ATOM 19 O LIG 1 -2.212 -5.238 -2.709 0.00 0.00 -0.475 OA ATOM 20 H LIG 1 -1.256 -5.137 -2.490 0.00 0.00 +0.296 HD ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 8 21 ATOM 21 N LIG 1 -2.200 0.279 -0.462 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -1.677 1.013 -0.930 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.649 0.497 -0.569 0.00 0.00 +0.072 C ATOM 24 C LIG 1 -3.899 2.007 -0.630 0.00 0.00 +0.028 C BRANCH 23 25 ATOM 25 C LIG 1 -4.337 -0.193 0.589 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -3.998 0.148 2.023 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -5.369 0.451 1.489 0.00 0.00 +0.005 C ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 2 28 ATOM 28 C LIG 1 0.768 0.565 0.559 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 C LIG 1 0.661 1.832 -0.279 0.00 0.00 -0.016 A ATOM 30 C LIG 1 0.290 3.056 0.340 0.00 0.00 +0.060 A ATOM 31 C LIG 1 0.172 4.220 -0.443 0.00 0.00 +0.013 A ATOM 32 C LIG 1 0.437 4.195 -1.810 0.00 0.00 +0.001 A ATOM 33 C LIG 1 0.826 3.007 -2.415 0.00 0.00 +0.000 A ATOM 34 C LIG 1 0.942 1.839 -1.659 0.00 0.00 +0.006 A BRANCH 30 35 ATOM 35 C LIG 1 -0.011 3.147 1.825 0.00 0.00 +0.418 C ATOM 36 F LIG 1 -0.077 4.423 2.293 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -1.199 2.568 2.145 0.00 0.00 -0.166 F ATOM 38 F LIG 1 0.929 2.522 2.587 0.00 0.00 -0.166 F ENDBRANCH 30 35 ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 9