REMARK Name = BDB021740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.817 -0.486 -1.194 0.00 0.00 -0.278 N ATOM 2 C LIG 1 -2.688 0.496 -0.711 0.00 0.00 +0.307 C ATOM 3 N LIG 1 -2.088 1.643 -0.245 0.00 0.00 -0.269 N ATOM 4 H LIG 1 -1.101 1.721 -0.402 0.00 0.00 +0.156 HD ATOM 5 O LIG 1 -3.905 0.323 -0.715 0.00 0.00 -0.252 OA ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 -2.697 2.766 0.353 0.00 0.00 +0.035 A ATOM 7 C LIG 1 -1.859 3.845 0.674 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -2.370 5.008 1.278 0.00 0.00 +0.092 A ATOM 9 C LIG 1 -3.730 5.071 1.559 0.00 0.00 +0.135 A ATOM 10 F LIG 1 -4.245 6.165 2.134 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -4.574 4.011 1.253 0.00 0.00 +0.041 A ATOM 12 C LIG 1 -4.058 2.859 0.652 0.00 0.00 +0.026 A BRANCH 8 13 ATOM 13 C LIG 1 -1.495 6.172 1.627 0.00 0.00 +0.420 C ATOM 14 F LIG 1 -0.187 5.968 1.290 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -1.486 6.453 2.958 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -1.856 7.320 0.992 0.00 0.00 -0.166 F ENDBRANCH 8 13 ENDBRANCH 3 6 BRANCH 1 20 ATOM 17 N LIG 1 2.412 0.065 -0.983 0.00 0.00 -0.302 NA ATOM 18 C LIG 1 1.790 -0.571 0.191 0.00 0.00 +0.086 C ATOM 19 C LIG 1 0.262 -0.449 0.241 0.00 0.00 +0.038 C ATOM 20 C LIG 1 -0.332 -0.482 -1.170 0.00 0.00 +0.080 C ATOM 21 C LIG 1 0.292 0.570 -2.103 0.00 0.00 +0.038 C ATOM 22 C LIG 1 1.595 1.143 -1.538 0.00 0.00 +0.086 C BRANCH 17 23 ATOM 23 C LIG 1 3.791 0.510 -0.721 0.00 0.00 +0.084 C BRANCH 23 24 ATOM 24 C LIG 1 4.738 -0.653 -0.391 0.00 0.00 +0.015 C BRANCH 24 26 ATOM 25 C LIG 1 6.875 0.370 -1.350 0.00 0.00 +0.004 C ATOM 26 C LIG 1 6.178 -0.201 -0.125 0.00 0.00 -0.002 C ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 1 27 ATOM 27 C LIG 1 -2.440 -1.722 -1.685 0.00 0.00 +0.144 C BRANCH 27 28 ATOM 28 C LIG 1 -2.360 -2.848 -0.676 0.00 0.00 -0.026 A ATOM 29 C LIG 1 -1.468 -3.917 -0.869 0.00 0.00 +0.054 A ATOM 30 C LIG 1 -1.421 -4.906 0.090 0.00 0.00 +0.167 A ATOM 31 O LIG 1 -0.616 -6.002 0.060 0.00 0.00 -0.453 OA ATOM 32 C LIG 1 -1.003 -6.656 1.287 0.00 0.00 +0.466 C ATOM 33 O LIG 1 -2.011 -5.938 2.028 0.00 0.00 -0.453 OA ATOM 34 C LIG 1 -2.216 -4.870 1.212 0.00 0.00 +0.166 A ATOM 35 C LIG 1 -3.103 -3.842 1.437 0.00 0.00 +0.050 A ATOM 36 C LIG 1 -3.173 -2.823 0.482 0.00 0.00 +0.009 A ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 8