REMARK Name = BDB010951 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.246 -2.286 0.559 0.00 0.00 -0.178 N ATOM 2 C LIG 1 -0.320 -1.326 0.976 0.00 0.00 +0.281 A ATOM 3 O LIG 1 -0.564 -0.224 1.462 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 1.111 -1.682 0.834 0.00 0.00 +0.051 A ATOM 5 C LIG 1 1.476 -2.935 0.360 0.00 0.00 +0.019 A ATOM 6 C LIG 1 2.829 -3.290 0.221 0.00 0.00 +0.064 A ATOM 7 C LIG 1 3.810 -2.342 0.571 0.00 0.00 +0.018 A ATOM 8 C LIG 1 3.461 -1.068 1.044 0.00 0.00 -0.032 A ATOM 9 C LIG 1 0.384 -3.844 0.025 0.00 0.00 +0.142 A ATOM 10 C LIG 1 2.103 -0.752 1.178 0.00 0.00 +0.019 A ATOM 11 N LIG 1 -0.869 -3.542 0.114 0.00 0.00 -0.170 NA ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -4.680 -0.692 0.838 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -3.274 -0.862 0.826 0.00 0.00 +0.053 A ATOM 14 C LIG 1 -2.675 -2.100 0.579 0.00 0.00 +0.158 A ATOM 15 N LIG 1 -3.454 -3.184 0.324 0.00 0.00 -0.236 NA ATOM 16 C LIG 1 -4.791 -3.045 0.346 0.00 0.00 +0.113 A ATOM 17 C LIG 1 -5.434 -1.847 0.593 0.00 0.00 +0.024 A BRANCH 12 18 ATOM 18 C LIG 1 -5.334 0.754 1.104 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -4.969 1.409 2.484 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -6.440 1.826 2.679 0.00 0.00 -0.012 C ATOM 21 C LIG 1 -6.783 3.288 2.443 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -6.830 0.838 1.561 0.00 0.00 +0.022 C BRANCH 18 25 ATOM 23 C LIG 1 -6.176 0.456 -2.007 0.00 0.00 +0.151 C ATOM 24 N LIG 1 -5.415 1.533 -1.438 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.030 1.705 -0.135 0.00 0.00 +0.144 A ATOM 26 N LIG 1 -4.318 2.811 -0.050 0.00 0.00 -0.134 NA ATOM 27 N LIG 1 -4.251 3.376 -1.301 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -4.909 2.594 -2.124 0.00 0.00 +0.224 A ENDBRANCH 18 25 ENDBRANCH 12 18 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 3.244 -4.643 -0.290 0.00 0.00 +0.418 C ATOM 30 F LIG 1 4.593 -4.806 -0.371 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.764 -4.895 -1.538 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.794 -5.654 0.500 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 8 33 ATOM 33 C LIG 1 4.526 -0.052 1.405 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 4.979 0.842 0.336 0.00 0.00 -0.293 NA ATOM 35 C LIG 1 5.653 0.157 -0.783 0.00 0.00 +0.119 C ATOM 36 C LIG 1 6.242 1.180 -1.783 0.00 0.00 +0.082 C ATOM 37 C LIG 1 7.577 1.859 -1.350 0.00 0.00 +0.036 C ATOM 38 C LIG 1 8.335 0.772 -2.130 0.00 0.00 +0.006 C ATOM 39 C LIG 1 7.052 0.530 -2.943 0.00 0.00 +0.036 C ATOM 40 O LIG 1 5.201 2.094 -2.229 0.00 0.00 -0.371 OA ATOM 41 C LIG 1 4.519 2.764 -1.162 0.00 0.00 +0.176 C ATOM 42 C LIG 1 3.929 1.742 -0.178 0.00 0.00 +0.113 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6