REMARK Name = BDB035764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.230 0.712 -0.741 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.459 1.323 -1.013 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.729 2.423 -1.458 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.506 0.360 -0.647 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.878 0.506 -0.734 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.679 -0.562 -0.310 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.065 -1.743 0.176 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.666 -1.876 0.256 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.899 -0.794 -0.166 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.414 -0.629 -0.198 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.534 1.057 -0.787 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.220 0.552 -0.615 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.060 1.275 -0.949 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.230 2.552 -1.484 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.505 3.085 -1.677 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.636 2.347 -1.332 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.542 -0.922 -1.069 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.234 0.579 -0.860 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -4.807 0.180 -0.359 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -5.018 -1.144 -1.175 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -4.782 -0.063 1.214 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.784 0.879 2.206 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.808 2.309 2.074 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -4.742 0.188 3.378 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.715 -1.099 3.128 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.736 -1.259 1.764 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.564 -2.606 -2.479 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -7.320 -1.225 -2.246 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.021 -3.125 0.791 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.894 -4.140 1.033 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.364 -2.901 1.962 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.089 -3.629 -0.066 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 6.192 -0.464 -0.386 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 6.840 -0.721 0.911 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 6.660 0.391 1.859 0.00 0.00 +0.085 C ATOM 36 C LIG 1 7.754 1.400 1.542 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.825 0.607 0.808 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.300 -0.820 0.765 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7