REMARK Name = BDB010978 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.591 0.333 -0.899 0.00 0.00 -0.239 N ATOM 2 N LIG 1 0.556 0.247 -1.625 0.00 0.00 -0.166 NA ATOM 3 C LIG 1 1.543 0.646 -0.812 0.00 0.00 +0.094 A ATOM 4 C LIG 1 0.996 0.997 0.467 0.00 0.00 +0.032 A ATOM 5 C LIG 1 1.689 1.461 1.589 0.00 0.00 +0.066 A ATOM 6 C LIG 1 3.079 1.554 1.300 0.00 0.00 +0.018 A ATOM 7 C LIG 1 3.684 1.211 0.039 0.00 0.00 -0.031 A ATOM 8 C LIG 1 2.919 0.746 -1.062 0.00 0.00 +0.035 A ATOM 9 C LIG 1 -0.355 0.791 0.382 0.00 0.00 +0.123 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -4.282 -0.362 -1.286 0.00 0.00 -0.032 A ATOM 11 C LIG 1 -3.033 0.003 -0.731 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -1.841 -0.039 -1.476 0.00 0.00 +0.066 A ATOM 13 C LIG 1 -1.882 -0.456 -2.811 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -3.095 -0.817 -3.389 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -4.269 -0.767 -2.637 0.00 0.00 +0.005 A BRANCH 10 18 ATOM 16 C LIG 1 -7.140 0.951 0.498 0.00 0.00 +0.003 C ATOM 17 C LIG 1 -6.735 0.687 -0.974 0.00 0.00 +0.024 C ATOM 18 C LIG 1 -5.658 -0.335 -0.453 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -5.729 0.452 0.904 0.00 0.00 +0.024 C BRANCH 18 20 ATOM 20 C LIG 1 -6.227 -1.815 -0.304 0.00 0.00 +0.144 A ATOM 21 N LIG 1 -5.604 -2.898 0.255 0.00 0.00 -0.320 N ATOM 22 C LIG 1 -4.292 -2.968 0.836 0.00 0.00 +0.151 C ATOM 23 C LIG 1 -6.482 -3.933 0.147 0.00 0.00 +0.224 A ATOM 24 N LIG 1 -7.580 -3.519 -0.437 0.00 0.00 -0.138 NA ATOM 25 N LIG 1 -7.419 -2.185 -0.726 0.00 0.00 -0.134 NA ENDBRANCH 18 20 BRANCH 16 26 ATOM 26 C LIG 1 -7.595 2.348 0.910 0.00 0.00 +0.092 C BRANCH 26 28 ATOM 27 C LIG 1 -5.859 4.277 0.275 0.00 0.00 +0.004 C ATOM 28 C LIG 1 -6.636 3.407 0.560 0.00 0.00 -0.105 C ENDBRANCH 26 28 ENDBRANCH 16 26 ENDBRANCH 10 18 ENDBRANCH 1 12 BRANCH 5 29 ATOM 29 C LIG 1 1.108 1.826 2.917 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.400 0.808 3.480 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.249 2.880 2.842 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.047 2.177 3.840 0.00 0.00 -0.166 F ENDBRANCH 5 29 BRANCH 7 33 ATOM 33 C LIG 1 5.189 1.371 -0.132 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 5.854 0.127 -0.537 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 7.173 0.413 -1.125 0.00 0.00 +0.088 C ATOM 36 C LIG 1 8.053 -0.841 -1.207 0.00 0.00 +0.000 C ATOM 37 C LIG 1 9.352 -0.560 -1.960 0.00 0.00 +0.009 C ATOM 38 C LIG 1 8.344 -1.387 0.200 0.00 0.00 +0.006 C ATOM 39 C LIG 1 7.246 -1.031 1.201 0.00 0.00 +0.016 C ATOM 40 C LIG 1 5.886 -0.892 0.523 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 8