REMARK Name = BDB039307 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.032 -1.539 -0.792 0.00 0.00 +0.025 A ATOM 2 C LIG 1 0.077 -2.622 -1.738 0.00 0.00 +0.145 A ATOM 3 N LIG 1 -1.001 -3.494 -1.844 0.00 0.00 -0.306 N ATOM 4 C LIG 1 -0.671 -4.423 -2.798 0.00 0.00 +0.112 A ATOM 5 C LIG 1 0.589 -4.082 -3.224 0.00 0.00 +0.131 A ATOM 6 C LIG 1 -2.166 -3.390 -1.094 0.00 0.00 +0.097 A ATOM 7 C LIG 1 -2.288 -2.393 -0.198 0.00 0.00 -0.016 A ATOM 8 N LIG 1 1.048 -2.973 -2.563 0.00 0.00 -0.235 NA ATOM 9 C LIG 1 -1.166 -1.461 -0.052 0.00 0.00 +0.018 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.313 1.195 0.004 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.269 2.108 0.048 0.00 0.00 +0.248 C ATOM 12 O LIG 1 4.334 3.310 0.221 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.033 1.348 -0.161 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.364 -0.001 -0.250 0.00 0.00 -0.017 A ATOM 15 C LIG 1 2.376 -0.952 -0.449 0.00 0.00 +0.014 A ATOM 16 C LIG 1 1.037 -0.532 -0.561 0.00 0.00 -0.014 A ATOM 17 C LIG 1 0.734 0.851 -0.478 0.00 0.00 +0.009 A ATOM 18 C LIG 1 1.735 1.805 -0.270 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.836 -0.180 -0.093 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 10.467 0.825 1.831 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.358 1.125 1.398 0.00 0.00 +0.219 C ATOM 22 N LIG 1 8.283 1.259 2.240 0.00 0.00 -0.255 N ATOM 23 H LIG 1 8.467 1.008 3.202 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 6.958 1.194 1.871 0.00 0.00 +0.240 C ATOM 25 O LIG 1 6.105 0.863 2.691 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.669 1.549 0.403 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.726 0.897 -0.483 0.00 0.00 +0.041 C ATOM 28 C LIG 1 9.105 1.386 -0.068 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 7 29 ATOM 29 C LIG 1 -3.506 -2.195 0.668 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 -4.117 -0.874 0.517 0.00 0.00 -0.312 NA ATOM 31 H LIG 1 -4.778 -0.730 1.282 0.00 0.00 +0.122 HD BRANCH 30 32 ATOM 32 C LIG 1 -4.824 -0.721 -0.759 0.00 0.00 +0.086 C BRANCH 32 33 ATOM 33 C LIG 1 -5.448 0.680 -0.897 0.00 0.00 +0.051 C BRANCH 33 34 ATOM 34 C LIG 1 -6.530 0.985 0.124 0.00 0.00 -0.035 A ATOM 35 C LIG 1 -6.392 1.992 1.108 0.00 0.00 +0.058 A ATOM 36 C LIG 1 -7.443 2.194 2.026 0.00 0.00 +0.012 A ATOM 37 C LIG 1 -8.608 1.430 1.971 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.747 0.452 0.995 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.720 0.233 0.078 0.00 0.00 +0.004 A BRANCH 35 40 ATOM 40 C LIG 1 -5.162 2.873 1.208 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -4.024 2.171 1.464 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -4.926 3.581 0.068 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -5.243 3.805 2.202 0.00 0.00 -0.166 F ENDBRANCH 35 40 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 8