REMARK Name = BDB010982 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.340 1.148 0.723 0.00 0.00 -0.031 A ATOM 2 C LIG 1 2.521 0.473 1.661 0.00 0.00 +0.035 A ATOM 3 C LIG 1 1.162 0.428 1.313 0.00 0.00 +0.094 A ATOM 4 C LIG 1 0.684 1.033 0.104 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -0.666 0.813 0.067 0.00 0.00 +0.123 A ATOM 6 N LIG 1 -0.969 0.104 1.211 0.00 0.00 -0.239 N ATOM 7 C LIG 1 1.434 1.716 -0.858 0.00 0.00 +0.066 A ATOM 8 N LIG 1 0.137 -0.131 1.969 0.00 0.00 -0.166 NA ATOM 9 C LIG 1 2.803 1.742 -0.475 0.00 0.00 +0.018 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.246 -0.375 1.629 0.00 0.00 +0.066 A ATOM 11 C LIG 1 -3.398 -0.166 0.848 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -4.673 -0.634 1.243 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -4.727 -1.320 2.476 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -3.594 -1.538 3.261 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -2.355 -1.068 2.839 0.00 0.00 +0.028 A BRANCH 12 16 ATOM 16 C LIG 1 -6.016 -0.421 0.367 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -7.077 0.561 0.994 0.00 0.00 +0.022 C ATOM 18 C LIG 1 -6.472 1.681 0.115 0.00 0.00 -0.012 C ATOM 19 C LIG 1 -7.440 2.705 -0.440 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -6.017 0.565 -0.855 0.00 0.00 +0.022 C BRANCH 16 21 ATOM 21 C LIG 1 -6.629 -1.827 -0.021 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -6.057 -2.796 -0.801 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.774 -2.766 -1.445 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.946 -3.825 -0.835 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -8.003 -3.515 -0.120 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.801 -2.259 0.399 0.00 0.00 -0.134 NA ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 6 10 BRANCH 7 27 ATOM 27 C LIG 1 0.929 2.339 -2.119 0.00 0.00 +0.418 C ATOM 28 F LIG 1 -0.015 3.294 -1.890 0.00 0.00 -0.166 F ATOM 29 F LIG 1 1.899 2.947 -2.857 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.342 1.433 -2.951 0.00 0.00 -0.166 F ENDBRANCH 7 27 BRANCH 1 31 ATOM 31 C LIG 1 4.832 1.266 0.998 0.00 0.00 +0.119 C BRANCH 31 34 ATOM 32 C LIG 1 8.072 0.496 -0.886 0.00 0.00 +0.025 C ATOM 33 C LIG 1 7.056 1.198 0.054 0.00 0.00 +0.092 C ATOM 34 N LIG 1 5.657 0.743 -0.101 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 5.605 -0.719 -0.189 0.00 0.00 +0.085 C ATOM 36 C LIG 1 6.267 -1.207 -1.483 0.00 0.00 +0.016 C ATOM 37 C LIG 1 7.355 -0.267 -2.007 0.00 0.00 +0.010 C BRANCH 32 39 ATOM 38 C LIG 1 10.335 -0.272 -0.080 0.00 0.00 +0.004 C ATOM 39 C LIG 1 9.004 -0.419 -0.118 0.00 0.00 -0.030 C ENDBRANCH 32 39 ENDBRANCH 31 34 ENDBRANCH 1 31 TORSDOF 7