REMARK Name = BDB010962 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.598 -0.302 0.506 0.00 0.00 -0.239 N ATOM 2 N LIG 1 0.614 0.248 1.266 0.00 0.00 -0.166 NA ATOM 3 C LIG 1 -0.456 0.356 0.467 0.00 0.00 +0.094 A ATOM 4 C LIG 1 -0.128 -0.133 -0.842 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -0.963 -0.193 -1.960 0.00 0.00 +0.066 A ATOM 6 C LIG 1 -2.251 0.318 -1.636 0.00 0.00 +0.018 A ATOM 7 C LIG 1 -2.637 0.820 -0.343 0.00 0.00 -0.031 A ATOM 8 C LIG 1 -1.737 0.853 0.753 0.00 0.00 +0.035 A ATOM 9 C LIG 1 1.178 -0.541 -0.787 0.00 0.00 +0.123 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.212 -1.345 0.829 0.00 0.00 -0.032 A ATOM 11 C LIG 1 3.928 -1.093 0.292 0.00 0.00 +0.032 A ATOM 12 C LIG 1 2.885 -0.555 1.065 0.00 0.00 +0.066 A ATOM 13 C LIG 1 3.118 -0.257 2.412 0.00 0.00 +0.028 A ATOM 14 C LIG 1 4.372 -0.490 2.971 0.00 0.00 +0.002 A ATOM 15 C LIG 1 5.397 -1.024 2.189 0.00 0.00 +0.004 A BRANCH 10 16 ATOM 16 C LIG 1 6.407 -1.933 -0.072 0.00 0.00 +0.080 C ATOM 17 C LIG 1 7.365 -2.980 0.556 0.00 0.00 +0.177 C ATOM 18 O LIG 1 7.254 -3.826 -0.619 0.00 0.00 -0.378 OA ATOM 19 C LIG 1 6.061 -3.110 -1.019 0.00 0.00 +0.177 C BRANCH 16 20 ATOM 20 C LIG 1 7.148 -0.827 -0.837 0.00 0.00 +0.248 C ATOM 21 F LIG 1 6.258 -0.262 -1.710 0.00 0.00 -0.236 F BRANCH 20 24 ATOM 22 C LIG 1 6.280 2.174 -0.506 0.00 0.00 +0.151 C ATOM 23 N LIG 1 7.337 1.499 0.199 0.00 0.00 -0.318 N ATOM 24 C LIG 1 7.748 0.197 0.069 0.00 0.00 +0.168 A ATOM 25 N LIG 1 8.748 -0.008 0.907 0.00 0.00 -0.132 NA ATOM 26 N LIG 1 8.984 1.157 1.592 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 8.131 2.053 1.156 0.00 0.00 +0.224 A ENDBRANCH 20 24 ENDBRANCH 16 20 ENDBRANCH 10 16 ENDBRANCH 1 12 BRANCH 5 28 ATOM 28 C LIG 1 -0.611 -0.705 -3.320 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.411 -0.011 -3.893 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.214 -2.008 -3.305 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.644 -0.642 -4.206 0.00 0.00 -0.166 F ENDBRANCH 5 28 BRANCH 7 32 ATOM 32 C LIG 1 -4.054 1.337 -0.138 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 -4.811 0.578 0.869 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -6.066 1.269 1.225 0.00 0.00 +0.088 C ATOM 35 C LIG 1 -7.381 0.539 0.845 0.00 0.00 +0.006 C ATOM 36 C LIG 1 -7.247 -0.064 -0.557 0.00 0.00 +0.006 C ATOM 37 C LIG 1 -6.035 -0.996 -0.656 0.00 0.00 +0.016 C ATOM 38 C LIG 1 -5.046 -0.821 0.499 0.00 0.00 +0.085 C BRANCH 35 39 ATOM 39 C LIG 1 -8.561 1.464 1.055 0.00 0.00 -0.007 C ATOM 40 C LIG 1 -9.886 1.287 0.354 0.00 0.00 +0.004 C ATOM 41 C LIG 1 -9.012 2.467 0.021 0.00 0.00 +0.004 C ENDBRANCH 35 39 ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 8