REMARK Name = BDB041073 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.539 -1.352 0.762 0.00 0.00 +0.162 A ATOM 2 N LIG 1 2.305 -1.253 0.227 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 1.680 -2.391 -0.132 0.00 0.00 +0.167 A ATOM 4 N LIG 1 0.389 -2.324 -0.686 0.00 0.00 -0.309 N ATOM 5 C LIG 1 0.030 -3.527 -1.430 0.00 0.00 +0.147 C ATOM 6 C LIG 1 0.354 -4.755 -0.580 0.00 0.00 +0.248 C ATOM 7 O LIG 1 1.754 -4.845 -0.286 0.00 0.00 -0.485 OA ATOM 8 C LIG 1 2.290 -3.633 0.060 0.00 0.00 +0.178 A ATOM 9 C LIG 1 3.552 -3.625 0.610 0.00 0.00 +0.162 A ATOM 10 N LIG 1 4.198 -2.506 0.979 0.00 0.00 -0.232 NA ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 4.405 1.019 0.370 0.00 0.00 -0.034 A ATOM 12 C LIG 1 4.205 -0.114 1.202 0.00 0.00 +0.023 A ATOM 13 C LIG 1 4.671 -0.053 2.535 0.00 0.00 +0.012 A ATOM 14 C LIG 1 5.287 1.087 3.050 0.00 0.00 +0.001 A ATOM 15 C LIG 1 5.453 2.201 2.242 0.00 0.00 +0.000 A ATOM 16 C LIG 1 5.016 2.168 0.918 0.00 0.00 +0.004 A BRANCH 11 18 ATOM 17 C LIG 1 2.773 1.956 -1.295 0.00 0.00 +0.012 C ATOM 18 C LIG 1 3.980 1.037 -1.096 0.00 0.00 +0.014 C ATOM 19 C LIG 1 5.125 1.437 -2.036 0.00 0.00 +0.012 C ENDBRANCH 11 18 ENDBRANCH 1 12 BRANCH 4 20 ATOM 20 C LIG 1 -0.074 -1.031 -1.191 0.00 0.00 +0.110 C BRANCH 20 21 ATOM 21 C LIG 1 -0.741 -0.187 -0.081 0.00 0.00 +0.006 C ATOM 22 C LIG 1 -1.915 -0.900 0.610 0.00 0.00 +0.006 C ATOM 23 C LIG 1 -3.141 -1.048 -0.292 0.00 0.00 +0.011 C ATOM 24 C LIG 1 -3.620 0.284 -0.886 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -2.460 1.078 -1.512 0.00 0.00 +0.011 C ATOM 26 C LIG 1 -1.210 1.170 -0.632 0.00 0.00 +0.006 C BRANCH 24 27 ATOM 27 C LIG 1 -4.383 1.096 0.134 0.00 0.00 +0.113 A ATOM 28 N LIG 1 -5.741 0.994 0.339 0.00 0.00 -0.337 N ATOM 29 C LIG 1 -6.660 0.132 -0.364 0.00 0.00 +0.150 C ATOM 30 C LIG 1 -6.087 1.862 1.337 0.00 0.00 +0.119 A ATOM 31 C LIG 1 -4.913 2.484 1.723 0.00 0.00 +0.162 A ATOM 32 N LIG 1 -3.869 1.991 0.955 0.00 0.00 -0.228 NA BRANCH 31 33 ATOM 33 C LIG 1 -4.718 3.535 2.777 0.00 0.00 +0.436 C ATOM 34 F LIG 1 -3.473 3.528 3.321 0.00 0.00 -0.164 F ATOM 35 F LIG 1 -5.592 3.377 3.812 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -4.931 4.787 2.289 0.00 0.00 -0.164 F ENDBRANCH 31 33 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 4 20 TORSDOF 6