REMARK Name = BDB034198 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.028 -2.410 -0.775 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.071 0.533 0.202 0.00 0.00 -0.282 N ATOM 3 C LIG 1 4.779 -0.395 1.191 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.404 -0.644 2.203 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.520 -1.041 0.806 0.00 0.00 +0.042 A ATOM 6 C LIG 1 3.049 -0.422 -0.349 0.00 0.00 -0.015 A ATOM 7 C LIG 1 1.859 -0.833 -0.934 0.00 0.00 +0.051 A ATOM 8 C LIG 1 1.150 -1.878 -0.332 0.00 0.00 +0.121 A ATOM 9 C LIG 1 1.653 -2.497 0.833 0.00 0.00 +0.046 A ATOM 10 C LIG 1 2.849 -2.078 1.420 0.00 0.00 +0.017 A ATOM 11 C LIG 1 3.983 0.666 -0.757 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 8.872 4.011 2.157 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.069 3.225 1.662 0.00 0.00 +0.219 C ATOM 14 N LIG 1 6.721 3.366 1.872 0.00 0.00 -0.255 N ATOM 15 H LIG 1 6.445 4.127 2.478 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 5.695 2.672 1.273 0.00 0.00 +0.240 C ATOM 17 O LIG 1 4.528 3.027 1.435 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.113 1.550 0.311 0.00 0.00 +0.163 C ATOM 19 C LIG 1 7.481 0.991 0.699 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.498 2.121 0.723 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -0.790 -1.711 -1.778 0.00 0.00 +0.190 C ATOM 22 C LIG 1 -2.308 -1.973 -1.472 0.00 0.00 +0.097 C ATOM 23 C LIG 1 -2.850 -3.149 -2.328 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -1.809 -4.239 -2.545 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -0.606 -3.718 -3.328 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -0.395 -2.212 -3.171 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 -3.123 -0.757 -1.738 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -2.897 0.284 -0.699 0.00 0.00 +0.094 C ATOM 29 C LIG 1 -4.134 -0.216 0.084 0.00 0.00 +0.047 C ATOM 30 C LIG 1 -4.522 -0.885 -1.256 0.00 0.00 +0.094 C BRANCH 29 31 ATOM 31 C LIG 1 -5.115 0.841 0.749 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -6.514 0.690 0.712 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -7.380 1.615 1.308 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -6.872 2.731 1.982 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -5.486 2.903 2.035 0.00 0.00 +0.012 A ATOM 36 C LIG 1 -4.630 1.972 1.435 0.00 0.00 +0.004 A BRANCH 34 37 ATOM 37 C LIG 1 -7.801 3.742 2.606 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -8.150 4.730 1.737 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -7.260 4.370 3.688 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -8.971 3.197 3.042 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 22 27 ENDBRANCH 1 21 TORSDOF 6