REMARK Name = BDB064980 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.529 -0.971 0.588 0.00 0.00 -0.267 N ATOM 2 C LIG 1 0.658 -1.709 0.969 0.00 0.00 +0.338 A ATOM 3 O LIG 1 0.839 -2.509 1.873 0.00 0.00 -0.246 OA ATOM 4 N LIG 1 1.628 -1.300 0.019 0.00 0.00 -0.267 N ATOM 5 C LIG 1 1.086 -0.393 -0.866 0.00 0.00 +0.079 A ATOM 6 C LIG 1 1.898 0.165 -1.928 0.00 0.00 +0.080 A ATOM 7 C LIG 1 3.185 -0.234 -2.014 0.00 0.00 +0.020 A ATOM 8 C LIG 1 3.739 -1.192 -1.059 0.00 0.00 -0.016 A ATOM 9 C LIG 1 2.938 -1.683 -0.092 0.00 0.00 +0.101 A ATOM 10 C LIG 1 -0.198 -0.198 -0.525 0.00 0.00 +0.123 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.184 -0.356 1.363 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.905 -0.330 0.756 0.00 0.00 +0.031 A ATOM 13 C LIG 1 -1.791 -1.041 1.250 0.00 0.00 +0.051 A ATOM 14 C LIG 1 -1.978 -1.806 2.403 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.219 -1.856 3.038 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.298 -1.141 2.525 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.465 0.447 0.789 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -5.285 1.524 -0.340 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -5.117 2.585 0.773 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -5.696 3.956 0.493 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -5.956 1.651 1.679 0.00 0.00 +0.022 C BRANCH 17 24 ATOM 22 C LIG 1 -5.503 -1.940 -1.363 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -6.588 -1.577 -0.495 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -6.622 -0.574 0.435 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -7.794 -0.592 1.035 0.00 0.00 -0.134 NA ATOM 26 N LIG 1 -8.538 -1.609 0.486 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -7.800 -2.192 -0.428 0.00 0.00 +0.224 A ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 6 28 ATOM 28 C LIG 1 1.273 1.146 -2.867 0.00 0.00 +0.419 C ATOM 29 F LIG 1 0.203 0.611 -3.515 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.816 2.249 -2.218 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.126 1.584 -3.828 0.00 0.00 -0.166 F ENDBRANCH 6 28 BRANCH 8 32 ATOM 32 C LIG 1 5.186 -1.602 -1.210 0.00 0.00 +0.121 C BRANCH 32 33 ATOM 33 N LIG 1 6.114 -0.470 -1.149 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 6.174 0.147 0.188 0.00 0.00 +0.091 C ATOM 35 C LIG 1 7.518 0.840 0.159 0.00 0.00 -0.015 C ATOM 36 C LIG 1 8.224 1.187 1.452 0.00 0.00 +0.009 C ATOM 37 C LIG 1 7.652 2.282 0.600 0.00 0.00 +0.009 C ATOM 38 C LIG 1 8.296 0.345 -1.026 0.00 0.00 +0.023 C ATOM 39 C LIG 1 7.491 -0.871 -1.466 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 6