REMARK Name = BDB030992 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.787 0.662 2.077 0.00 0.00 +0.090 A ATOM 2 C LIG 1 -1.364 1.356 3.116 0.00 0.00 +0.099 A ATOM 3 C LIG 1 -2.691 1.664 2.925 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -3.390 1.345 1.818 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 -2.734 0.700 0.850 0.00 0.00 +0.216 A ATOM 6 N LIG 1 -1.452 0.341 0.945 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.047 0.656 -0.325 0.00 0.00 +0.080 A ATOM 8 C LIG 1 3.972 -0.149 0.829 0.00 0.00 +0.165 A ATOM 9 C LIG 1 2.770 -0.191 1.548 0.00 0.00 +0.091 A ATOM 10 C LIG 1 1.626 0.483 1.124 0.00 0.00 +0.013 A ATOM 11 C LIG 1 0.597 0.217 2.082 0.00 0.00 +0.026 A ATOM 12 C LIG 1 1.136 -0.624 3.037 0.00 0.00 +0.093 A ATOM 13 C LIG 1 1.698 1.241 -0.063 0.00 0.00 +0.013 A ATOM 14 N LIG 1 2.453 -0.835 2.720 0.00 0.00 -0.357 N ATOM 15 H LIG 1 3.107 -1.390 3.256 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 2.909 1.327 -0.769 0.00 0.00 +0.028 A BRANCH 7 18 ATOM 17 C LIG 1 5.642 1.419 -2.095 0.00 0.00 +0.404 C ATOM 18 N LIG 1 5.297 0.735 -0.968 0.00 0.00 -0.248 N ATOM 19 H LIG 1 6.060 0.245 -0.521 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 4.926 2.099 -2.813 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 7.473 1.887 -3.476 0.00 0.00 +0.282 C ATOM 22 O LIG 1 6.970 1.219 -2.318 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 O LIG 1 5.090 -0.831 1.267 0.00 0.00 -0.491 OA ATOM 24 C LIG 1 5.044 -2.176 0.784 0.00 0.00 +0.277 C ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 25 ATOM 25 C LIG 1 -0.659 1.758 4.357 0.00 0.00 +0.421 C ATOM 26 F LIG 1 -0.446 0.717 5.209 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -1.364 2.672 5.088 0.00 0.00 -0.166 F ATOM 28 F LIG 1 0.554 2.337 4.146 0.00 0.00 -0.166 F ENDBRANCH 2 25 BRANCH 5 29 ATOM 29 N LIG 1 -3.466 0.410 -0.281 0.00 0.00 -0.309 N ATOM 30 H LIG 1 -4.449 0.497 -0.060 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.076 -0.753 -1.079 0.00 0.00 +0.087 C ATOM 32 C LIG 1 -3.780 -0.683 -2.458 0.00 0.00 +0.106 C ATOM 33 N LIG 1 -5.238 -0.912 -2.461 0.00 0.00 -0.304 NA ATOM 34 C LIG 1 -5.999 0.318 -2.651 0.00 0.00 +0.104 C ATOM 35 C LIG 1 -5.729 -1.681 -1.315 0.00 0.00 +0.084 C ATOM 36 C LIG 1 -4.713 -2.720 -0.854 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -3.415 -2.074 -0.364 0.00 0.00 +0.025 C ENDBRANCH 29 31 ENDBRANCH 5 29 TORSDOF 7