REMARK Name = BDB010991 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.557 -0.961 -0.595 0.00 0.00 -0.031 A ATOM 2 C LIG 1 2.287 -0.335 -0.645 0.00 0.00 +0.035 A ATOM 3 C LIG 1 1.249 -1.091 -0.077 0.00 0.00 +0.094 A ATOM 4 C LIG 1 1.497 -2.386 0.489 0.00 0.00 +0.032 A ATOM 5 C LIG 1 0.294 -2.843 0.954 0.00 0.00 +0.123 A ATOM 6 N LIG 1 -0.625 -1.853 0.673 0.00 0.00 -0.239 N ATOM 7 C LIG 1 2.719 -3.060 0.564 0.00 0.00 +0.066 A ATOM 8 N LIG 1 -0.052 -0.792 0.040 0.00 0.00 -0.166 NA ATOM 9 C LIG 1 3.746 -2.266 -0.015 0.00 0.00 +0.018 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.022 -1.853 0.956 0.00 0.00 +0.066 A ATOM 11 C LIG 1 -2.793 -0.725 0.616 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -4.183 -0.659 0.849 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -4.764 -1.794 1.450 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -4.014 -2.918 1.800 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -2.643 -2.951 1.556 0.00 0.00 +0.028 A BRANCH 12 16 ATOM 16 C LIG 1 -5.074 0.614 0.451 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -5.876 1.277 1.633 0.00 0.00 +0.022 C ATOM 18 C LIG 1 -5.607 2.657 0.990 0.00 0.00 -0.012 C ATOM 19 C LIG 1 -5.323 3.801 1.941 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -4.383 2.015 0.296 0.00 0.00 +0.022 C BRANCH 16 21 ATOM 21 C LIG 1 -5.993 0.255 -0.797 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.592 -0.120 -2.051 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.254 -0.287 -2.546 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.733 -0.330 -2.763 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -7.776 -0.101 -2.001 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.310 0.263 -0.760 0.00 0.00 -0.134 NA ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 6 10 BRANCH 7 27 ATOM 27 C LIG 1 2.973 -4.405 1.165 0.00 0.00 +0.418 C ATOM 28 F LIG 1 2.186 -5.378 0.625 0.00 0.00 -0.166 F ATOM 29 F LIG 1 2.731 -4.435 2.505 0.00 0.00 -0.166 F ATOM 30 F LIG 1 4.254 -4.840 1.009 0.00 0.00 -0.166 F ENDBRANCH 7 27 BRANCH 1 31 ATOM 31 C LIG 1 4.761 -0.232 -1.176 0.00 0.00 +0.120 C BRANCH 31 35 ATOM 32 C LIG 1 8.120 2.407 -2.141 0.00 0.00 +0.040 C ATOM 33 C LIG 1 7.072 1.960 -1.165 0.00 0.00 -0.063 C ATOM 34 C LIG 1 7.056 0.480 -0.840 0.00 0.00 +0.115 C ATOM 35 N LIG 1 5.827 -0.010 -0.187 0.00 0.00 -0.294 NA ATOM 36 C LIG 1 5.438 0.923 0.888 0.00 0.00 +0.089 C ATOM 37 C LIG 1 5.196 2.368 0.417 0.00 0.00 +0.042 C ATOM 38 C LIG 1 6.207 2.820 -0.598 0.00 0.00 -0.025 C ENDBRANCH 31 35 ENDBRANCH 1 31 TORSDOF 6