REMARK Name = BDB008713 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.737 -0.909 -0.984 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -1.346 -0.903 -1.059 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.709 -1.466 -2.150 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.641 -1.342 -2.060 0.00 0.00 -0.206 NA ATOM 5 C LIG 1 0.887 -0.717 -0.918 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -1.340 -2.066 -3.169 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.664 -2.072 -3.006 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.308 -0.483 -0.246 0.00 0.00 -0.314 N ATOM 9 N LIG 1 -3.388 -1.536 -1.984 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.240 -0.356 -0.467 0.00 0.00 +0.107 A ATOM 11 N LIG 1 2.331 0.581 0.502 0.00 0.00 -0.252 NA ATOM 12 C LIG 1 3.573 0.937 0.893 0.00 0.00 +0.112 A ATOM 13 C LIG 1 4.740 0.405 0.363 0.00 0.00 +0.023 A ATOM 14 C LIG 1 4.650 -0.557 -0.643 0.00 0.00 -0.041 A ATOM 15 C LIG 1 3.363 -0.933 -1.059 0.00 0.00 +0.035 A BRANCH 14 16 ATOM 16 C LIG 1 5.860 -1.202 -1.305 0.00 0.00 +0.019 C ATOM 17 C LIG 1 6.707 -0.214 -2.128 0.00 0.00 +0.008 C ATOM 18 C LIG 1 7.780 0.527 -1.334 0.00 0.00 +0.001 C ATOM 19 C LIG 1 8.633 -0.424 -0.504 0.00 0.00 +0.000 C ATOM 20 C LIG 1 7.783 -1.288 0.420 0.00 0.00 +0.001 C ATOM 21 C LIG 1 6.707 -2.056 -0.344 0.00 0.00 +0.008 C ENDBRANCH 14 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -3.439 -0.306 0.053 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -3.006 0.581 0.295 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -5.353 1.005 0.770 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -4.902 -0.211 -0.045 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -5.553 -1.523 0.433 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -7.095 -1.595 0.580 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -6.923 -1.509 2.106 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -5.455 -1.931 1.928 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 -3.502 -2.746 -4.061 0.00 0.00 +0.375 C ATOM 31 O LIG 1 -3.098 -3.282 -5.077 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 -4.824 -2.681 -3.728 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 -4.916 -2.211 -2.866 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 -0.453 -0.068 1.148 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 C LIG 1 -0.888 1.370 1.327 0.00 0.00 -0.028 A ATOM 36 C LIG 1 -0.455 2.406 0.489 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -0.879 3.722 0.699 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -1.741 4.035 1.759 0.00 0.00 +0.055 A ATOM 39 C LIG 1 -2.151 3.008 2.618 0.00 0.00 +0.013 A ATOM 40 C LIG 1 -1.726 1.694 2.408 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 -2.179 5.459 2.001 0.00 0.00 +0.417 C ATOM 42 F LIG 1 -3.434 5.544 2.526 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.363 6.112 2.873 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.201 6.214 0.868 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 10