REMARK Name = BDB035377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.500 0.692 -1.232 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.681 1.262 -1.717 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.878 2.108 -2.570 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.790 0.628 -0.993 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.148 0.862 -1.119 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.019 0.124 -0.307 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.489 -0.821 0.606 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.104 -1.049 0.720 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.266 -0.300 -0.101 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.225 -0.305 -0.206 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.275 0.617 -1.430 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.929 0.332 -1.088 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.826 1.023 -1.626 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.088 2.041 -2.544 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.398 2.370 -2.892 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.471 1.674 -2.337 0.00 0.00 +0.005 A BRANCH 11 20 ATOM 17 C LIG 1 -7.533 -2.856 -1.692 0.00 0.00 +0.008 C ATOM 18 C LIG 1 -6.704 -1.842 -1.425 0.00 0.00 -0.074 C ATOM 19 C LIG 1 -6.799 -0.356 -1.672 0.00 0.00 +0.050 C ATOM 20 C LIG 1 -5.515 -0.226 -0.780 0.00 0.00 +0.063 C ATOM 21 C LIG 1 -5.332 -1.786 -0.798 0.00 0.00 +0.050 C BRANCH 20 22 ATOM 22 C LIG 1 -5.816 0.342 0.699 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -6.775 -0.026 1.610 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -7.796 -1.032 1.513 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -6.576 0.760 2.707 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -5.560 1.559 2.500 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -5.082 1.296 1.243 0.00 0.00 -0.134 NA ENDBRANCH 20 22 ENDBRANCH 11 20 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.546 -2.043 1.701 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.663 -2.903 1.118 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.490 -2.824 2.293 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.861 -1.443 2.712 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.514 0.342 -0.386 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 6.000 0.957 0.849 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.547 1.863 0.962 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.467 1.016 0.909 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.839 1.373 2.380 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.886 0.241 2.321 0.00 0.00 +0.004 C ATOM 38 C LIG 1 8.039 -0.400 1.202 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.123 1.874 -0.157 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7