REMARK Name = BDB041179 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.407 0.014 -0.142 0.00 0.00 -0.303 N ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.754 1.825 0.816 0.00 0.00 +0.178 A ATOM 3 C LIG 1 -1.659 0.504 0.354 0.00 0.00 +0.168 A ATOM 4 N LIG 1 -2.717 -0.333 0.374 0.00 0.00 -0.209 NA ATOM 5 C LIG 1 -3.877 0.134 0.869 0.00 0.00 +0.169 A ATOM 6 N LIG 1 -4.070 1.383 1.326 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 -2.997 2.198 1.287 0.00 0.00 +0.162 A BRANCH 5 8 ATOM 8 C LIG 1 -5.014 -0.769 0.880 0.00 0.00 +0.102 A ATOM 9 C LIG 1 -6.169 -0.526 0.135 0.00 0.00 +0.062 A ATOM 10 N LIG 1 -7.228 -1.379 0.168 0.00 0.00 -0.239 NA ATOM 11 C LIG 1 -7.119 -2.470 0.933 0.00 0.00 +0.225 A ATOM 12 N LIG 1 -6.064 -2.801 1.678 0.00 0.00 -0.201 NA ATOM 13 C LIG 1 -5.030 -1.935 1.634 0.00 0.00 +0.229 A BRANCH 9 14 ATOM 14 C LIG 1 -6.312 0.698 -0.754 0.00 0.00 +0.039 C ATOM 15 C LIG 1 -5.528 0.789 -2.045 0.00 0.00 +0.010 C ATOM 16 C LIG 1 -7.013 0.595 -2.091 0.00 0.00 +0.010 C ENDBRANCH 9 14 BRANCH 13 17 ATOM 17 O LIG 1 -3.921 -2.206 2.420 0.00 0.00 -0.479 OA ATOM 18 C LIG 1 -4.004 -3.438 3.127 0.00 0.00 +0.279 C ENDBRANCH 13 17 ENDBRANCH 5 8 BRANCH 2 20 ATOM 19 C LIG 1 -0.773 3.956 1.225 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -0.646 2.619 0.759 0.00 0.00 -0.490 OA ENDBRANCH 2 20 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 C LIG 1 -0.601 -1.069 -1.139 0.00 0.00 +0.103 C ATOM 22 C LIG 1 -1.419 -0.639 -2.367 0.00 0.00 +0.182 C ATOM 23 O LIG 1 -0.964 -1.407 -3.497 0.00 0.00 -0.378 OA ATOM 24 C LIG 1 0.193 -2.139 -3.089 0.00 0.00 +0.162 C ATOM 25 C LIG 1 0.691 -1.486 -1.821 0.00 0.00 +0.053 C ENDBRANCH 1 21 BRANCH 1 26 ATOM 26 C LIG 1 0.411 -0.354 1.036 0.00 0.00 +0.142 C BRANCH 26 27 ATOM 27 C LIG 1 1.896 -0.159 0.793 0.00 0.00 -0.030 A ATOM 28 C LIG 1 2.386 1.010 0.195 0.00 0.00 +0.006 A ATOM 29 C LIG 1 3.759 1.201 0.016 0.00 0.00 +0.012 A ATOM 30 C LIG 1 4.672 0.225 0.429 0.00 0.00 +0.017 A ATOM 31 C LIG 1 4.190 -0.930 1.056 0.00 0.00 +0.012 A ATOM 32 C LIG 1 2.816 -1.120 1.238 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 6.104 0.451 0.229 0.00 0.00 +0.141 A ATOM 34 N LIG 1 6.971 -0.414 -0.406 0.00 0.00 -0.333 N ATOM 35 C LIG 1 6.635 -1.663 -1.047 0.00 0.00 +0.150 C ATOM 36 C LIG 1 8.221 0.142 -0.390 0.00 0.00 +0.119 A ATOM 37 C LIG 1 8.081 1.369 0.233 0.00 0.00 +0.162 A ATOM 38 N LIG 1 6.753 1.543 0.593 0.00 0.00 -0.224 NA BRANCH 37 39 ATOM 39 C LIG 1 9.130 2.406 0.510 0.00 0.00 +0.436 C ATOM 40 F LIG 1 8.830 3.611 -0.043 0.00 0.00 -0.164 F ATOM 41 F LIG 1 10.344 2.045 0.004 0.00 0.00 -0.164 F ATOM 42 F LIG 1 9.317 2.612 1.840 0.00 0.00 -0.164 F ENDBRANCH 37 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 10