REMARK Name = BDB010202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.474 -0.495 0.680 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.149 -0.913 0.617 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.314 -1.881 1.493 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.632 -2.160 1.292 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.986 -1.435 0.259 0.00 0.00 +0.202 A ATOM 6 N LIG 1 0.441 -2.479 2.428 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 1.710 -2.048 2.397 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.950 -0.624 -0.163 0.00 0.00 -0.303 N ATOM 9 N LIG 1 2.251 -1.117 1.589 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -3.207 -1.396 -0.347 0.00 0.00 -0.291 N ATOM 11 C LIG 1 -3.606 -2.610 -1.157 0.00 0.00 +0.055 C ATOM 12 C LIG 1 -3.742 -3.884 -0.298 0.00 0.00 +0.034 C ATOM 13 C LIG 1 -2.577 -2.871 -2.276 0.00 0.00 +0.034 C ATOM 14 C LIG 1 -4.972 -2.305 -1.845 0.00 0.00 +0.185 C ATOM 15 O LIG 1 -5.992 -1.946 -0.901 0.00 0.00 -0.376 OA ATOM 16 C LIG 1 -5.605 -0.766 -0.186 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -4.295 -0.977 0.580 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 7 18 ATOM 18 C LIG 1 2.611 -2.678 3.389 0.00 0.00 +0.220 A ATOM 19 N LIG 1 2.122 -3.621 4.212 0.00 0.00 -0.269 N ATOM 20 H LIG 1 1.179 -3.971 4.244 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 3.133 -4.014 4.997 0.00 0.00 +0.440 A ATOM 22 O LIG 1 3.074 -4.860 5.874 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 4.255 -3.303 4.649 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 3.866 -2.430 3.582 0.00 0.00 -0.051 NA ENDBRANCH 7 18 BRANCH 1 25 ATOM 25 N LIG 1 1.999 0.496 -0.139 0.00 0.00 -0.324 N ATOM 26 H LIG 1 1.344 1.257 -0.278 0.00 0.00 +0.148 HD BRANCH 25 28 ATOM 27 C LIG 1 3.328 1.971 1.307 0.00 0.00 +0.028 C ATOM 28 C LIG 1 3.357 0.977 0.142 0.00 0.00 +0.072 C BRANCH 28 29 ATOM 29 C LIG 1 3.886 1.692 -1.116 0.00 0.00 +0.009 C ATOM 30 C LIG 1 4.110 0.800 -2.371 0.00 0.00 +0.005 C ATOM 31 C LIG 1 5.589 0.681 -1.959 0.00 0.00 +0.001 C ATOM 32 C LIG 1 5.412 1.989 -1.168 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 8 33 ATOM 33 C LIG 1 -1.006 0.287 -1.297 0.00 0.00 +0.160 C BRANCH 33 34 ATOM 34 C LIG 1 -0.983 1.752 -0.915 0.00 0.00 -0.028 A ATOM 35 C LIG 1 -1.605 2.243 0.241 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -1.566 3.606 0.549 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -0.925 4.514 -0.305 0.00 0.00 +0.055 A ATOM 38 C LIG 1 -0.316 4.029 -1.470 0.00 0.00 +0.013 A ATOM 39 C LIG 1 -0.355 2.667 -1.777 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 -0.863 5.983 0.039 0.00 0.00 +0.417 C ATOM 41 F LIG 1 -0.864 6.787 -1.061 0.00 0.00 -0.166 F ATOM 42 F LIG 1 0.263 6.301 0.734 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.909 6.399 0.805 0.00 0.00 -0.166 F ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 8