REMARK Name = BDB041980 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.109 -1.624 1.998 0.00 0.00 +0.122 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.644 -0.170 -0.067 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.213 0.712 0.908 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.807 1.655 1.390 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.875 0.275 1.317 0.00 0.00 +0.044 A ATOM 6 C LIG 1 3.578 -0.905 0.638 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.369 -1.547 0.844 0.00 0.00 +0.013 A ATOM 8 C LIG 1 1.452 -0.976 1.748 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.791 0.220 2.419 0.00 0.00 +0.129 A ATOM 10 F LIG 1 0.929 0.756 3.296 0.00 0.00 -0.205 F ATOM 11 C LIG 1 3.008 0.861 2.215 0.00 0.00 +0.052 A ATOM 12 C LIG 1 4.724 -1.287 -0.238 0.00 0.00 +0.144 C BRANCH 2 19 ATOM 13 O LIG 1 10.033 2.245 0.803 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 9.113 1.556 0.367 0.00 0.00 +0.219 C ATOM 15 N LIG 1 8.981 0.249 0.756 0.00 0.00 -0.255 N ATOM 16 H LIG 1 9.634 -0.057 1.464 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 7.998 -0.646 0.421 0.00 0.00 +0.240 C ATOM 18 O LIG 1 7.923 -1.737 0.988 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 6.986 -0.209 -0.638 0.00 0.00 +0.163 C ATOM 20 C LIG 1 7.411 1.032 -1.419 0.00 0.00 +0.041 C ATOM 21 C LIG 1 8.080 2.107 -0.581 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 N LIG 1 -0.976 -0.973 1.260 0.00 0.00 -0.292 NA ATOM 23 C LIG 1 -1.006 -1.283 -0.198 0.00 0.00 +0.073 C ATOM 24 C LIG 1 -1.942 -0.239 -0.856 0.00 0.00 +0.104 C ATOM 25 N LIG 1 -3.305 -0.755 -0.538 0.00 0.00 -0.286 NA ATOM 26 C LIG 1 -3.027 -1.864 0.419 0.00 0.00 +0.073 C ATOM 27 C LIG 1 -1.863 -2.534 -0.296 0.00 0.00 +0.040 C ATOM 28 C LIG 1 -2.314 -1.431 1.726 0.00 0.00 +0.104 C BRANCH 25 29 ATOM 29 C LIG 1 -4.195 0.310 -0.019 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 C LIG 1 -4.471 1.406 -1.060 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -4.544 2.750 -0.653 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.810 3.762 -1.578 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.012 3.447 -2.920 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.952 2.120 -3.339 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.686 1.107 -2.416 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -5.516 -0.235 0.536 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -6.328 -1.104 -0.213 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -7.531 -1.585 0.307 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.942 -1.202 1.581 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -7.153 -0.336 2.336 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.950 0.146 1.817 0.00 0.00 +0.005 A ENDBRANCH 29 36 ENDBRANCH 25 29 ENDBRANCH 1 22 TORSDOF 6