REMARK Name = BDB035167 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.818 0.072 0.994 0.00 0.00 +0.189 A ATOM 2 N LIG 1 -2.592 -0.347 0.629 0.00 0.00 -0.143 NA ATOM 3 N LIG 1 -1.830 0.711 0.981 0.00 0.00 -0.198 N ATOM 4 C LIG 1 -2.593 1.712 1.520 0.00 0.00 +0.160 A ATOM 5 C LIG 1 -1.901 2.871 1.927 0.00 0.00 +0.068 A ATOM 6 C LIG 1 -0.567 2.898 1.761 0.00 0.00 +0.116 A ATOM 7 N LIG 1 0.192 1.878 1.220 0.00 0.00 -0.240 NA ATOM 8 C LIG 1 -0.447 0.806 0.831 0.00 0.00 +0.137 A ATOM 9 N LIG 1 -3.852 1.343 1.532 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -5.818 -1.081 1.884 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -5.017 -0.715 0.813 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -5.438 -1.142 -0.444 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -6.566 -1.890 -0.586 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -7.258 -2.184 0.521 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -6.943 -1.816 1.765 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -4.679 -0.809 -1.717 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -5.432 -0.443 -2.978 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -4.664 0.611 -2.241 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -6.350 -1.032 4.175 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -5.413 -0.709 3.155 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 8 21 ATOM 21 C LIG 1 0.192 -0.416 0.222 0.00 0.00 +0.111 C BRANCH 21 22 ATOM 22 C LIG 1 1.659 -0.262 -0.102 0.00 0.00 -0.040 A ATOM 23 C LIG 1 2.634 -0.500 0.875 0.00 0.00 +0.005 A ATOM 24 C LIG 1 3.991 -0.341 0.578 0.00 0.00 +0.012 A ATOM 25 C LIG 1 4.400 0.050 -0.703 0.00 0.00 +0.017 A ATOM 26 C LIG 1 3.422 0.316 -1.669 0.00 0.00 +0.012 A ATOM 27 C LIG 1 2.065 0.160 -1.375 0.00 0.00 +0.005 A BRANCH 25 28 ATOM 28 C LIG 1 5.813 0.225 -1.046 0.00 0.00 +0.141 A ATOM 29 N LIG 1 6.819 -0.691 -0.816 0.00 0.00 -0.333 N ATOM 30 C LIG 1 6.678 -2.018 -0.265 0.00 0.00 +0.150 C ATOM 31 C LIG 1 7.996 -0.159 -1.269 0.00 0.00 +0.119 A ATOM 32 C LIG 1 7.673 1.072 -1.808 0.00 0.00 +0.162 A ATOM 33 N LIG 1 6.308 1.278 -1.674 0.00 0.00 -0.224 NA BRANCH 32 34 ATOM 34 C LIG 1 8.577 2.078 -2.460 0.00 0.00 +0.436 C ATOM 35 F LIG 1 9.861 1.628 -2.536 0.00 0.00 -0.164 F ATOM 36 F LIG 1 8.624 3.252 -1.777 0.00 0.00 -0.164 F ATOM 37 F LIG 1 8.199 2.370 -3.732 0.00 0.00 -0.164 F ENDBRANCH 32 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 7