REMARK Name = BDB010919 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.903 -1.825 0.416 0.00 0.00 -0.239 N ATOM 2 N LIG 1 -0.380 -0.810 -0.326 0.00 0.00 -0.166 NA ATOM 3 C LIG 1 0.947 -0.996 -0.320 0.00 0.00 +0.094 A ATOM 4 C LIG 1 1.266 -2.159 0.457 0.00 0.00 +0.032 A ATOM 5 C LIG 1 2.534 -2.690 0.709 0.00 0.00 +0.066 A ATOM 6 C LIG 1 3.526 -1.896 0.072 0.00 0.00 +0.018 A ATOM 7 C LIG 1 3.266 -0.717 -0.716 0.00 0.00 -0.031 A ATOM 8 C LIG 1 1.952 -0.236 -0.938 0.00 0.00 +0.035 A ATOM 9 C LIG 1 0.077 -2.659 0.912 0.00 0.00 +0.123 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -4.561 -1.002 0.153 0.00 0.00 -0.032 A ATOM 11 C LIG 1 -3.159 -0.982 -0.008 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -2.312 -1.921 0.612 0.00 0.00 +0.066 A ATOM 13 C LIG 1 -2.869 -2.922 1.412 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -4.250 -2.971 1.591 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -5.074 -2.027 0.974 0.00 0.00 +0.005 A BRANCH 10 19 ATOM 16 C LIG 1 -6.567 0.419 -3.889 0.00 0.00 +0.007 C ATOM 17 C LIG 1 -6.471 0.691 -2.401 0.00 0.00 -0.012 C ATOM 18 C LIG 1 -6.654 -0.526 -1.466 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -5.534 0.072 -0.535 0.00 0.00 +0.056 C ATOM 20 C LIG 1 -5.046 0.837 -1.816 0.00 0.00 +0.022 C BRANCH 19 21 ATOM 21 C LIG 1 -6.108 1.059 0.573 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.404 1.904 1.387 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -3.983 2.104 1.449 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.328 2.530 2.167 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -7.528 2.100 1.858 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.391 1.170 0.856 0.00 0.00 -0.134 NA ENDBRANCH 19 21 ENDBRANCH 10 19 ENDBRANCH 1 12 BRANCH 5 27 ATOM 27 C LIG 1 2.861 -3.897 1.528 0.00 0.00 +0.418 C ATOM 28 F LIG 1 4.186 -4.213 1.532 0.00 0.00 -0.166 F ATOM 29 F LIG 1 2.509 -3.753 2.836 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.217 -5.016 1.092 0.00 0.00 -0.166 F ENDBRANCH 5 27 BRANCH 7 31 ATOM 31 C LIG 1 4.439 0.022 -1.344 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 5.455 0.421 -0.359 0.00 0.00 -0.298 NA ATOM 33 C LIG 1 6.712 0.783 -1.040 0.00 0.00 +0.088 C ATOM 34 C LIG 1 7.741 1.513 -0.146 0.00 0.00 +0.000 C ATOM 35 C LIG 1 7.852 2.999 -0.503 0.00 0.00 +0.009 C ATOM 36 C LIG 1 7.415 1.323 1.337 0.00 0.00 +0.006 C ATOM 37 C LIG 1 5.975 1.716 1.673 0.00 0.00 +0.016 C ATOM 38 C LIG 1 4.997 1.505 0.511 0.00 0.00 +0.085 C ENDBRANCH 31 32 ENDBRANCH 7 31 TORSDOF 6