REMARK Name = BDB021886 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.308 0.155 0.993 0.00 0.00 -0.276 N ATOM 2 C LIG 1 -1.625 -1.119 0.515 0.00 0.00 +0.307 C ATOM 3 N LIG 1 -2.979 -1.360 0.406 0.00 0.00 -0.269 N ATOM 4 H LIG 1 -3.541 -0.911 1.113 0.00 0.00 +0.156 HD ATOM 5 O LIG 1 -0.769 -1.956 0.243 0.00 0.00 -0.252 OA ENDROOT BRANCH 1 6 ATOM 6 C LIG 1 0.101 0.492 1.309 0.00 0.00 +0.080 C ATOM 7 C LIG 1 1.049 0.475 0.104 0.00 0.00 +0.038 C ATOM 8 C LIG 1 2.454 0.909 0.528 0.00 0.00 +0.086 C ATOM 9 N LIG 1 2.978 0.061 1.611 0.00 0.00 -0.298 NA ATOM 10 C LIG 1 2.096 0.090 2.787 0.00 0.00 +0.086 C ATOM 11 C LIG 1 0.678 -0.366 2.442 0.00 0.00 +0.038 C BRANCH 9 12 ATOM 12 C LIG 1 4.347 0.455 1.994 0.00 0.00 +0.119 C BRANCH 12 13 ATOM 13 C LIG 1 5.384 0.177 0.925 0.00 0.00 -0.033 A ATOM 14 C LIG 1 5.504 -1.103 0.362 0.00 0.00 +0.005 A ATOM 15 C LIG 1 6.473 -1.365 -0.607 0.00 0.00 +0.000 A ATOM 16 C LIG 1 7.337 -0.353 -1.020 0.00 0.00 +0.000 A ATOM 17 C LIG 1 7.233 0.921 -0.464 0.00 0.00 +0.000 A ATOM 18 C LIG 1 6.263 1.185 0.505 0.00 0.00 +0.005 A ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 1 6 BRANCH 3 19 ATOM 19 C LIG 1 -3.592 -2.435 -0.271 0.00 0.00 +0.035 A ATOM 20 C LIG 1 -4.943 -2.685 -0.001 0.00 0.00 +0.035 A ATOM 21 C LIG 1 -5.632 -3.727 -0.647 0.00 0.00 +0.057 A ATOM 22 C LIG 1 -4.952 -4.505 -1.594 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -3.611 -4.252 -1.876 0.00 0.00 +0.002 A ATOM 24 C LIG 1 -2.936 -3.220 -1.220 0.00 0.00 +0.023 A BRANCH 21 25 ATOM 25 C LIG 1 -7.090 -3.973 -0.355 0.00 0.00 +0.417 C ATOM 26 F LIG 1 -7.432 -3.675 0.930 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -7.469 -5.266 -0.550 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -7.908 -3.220 -1.141 0.00 0.00 -0.166 F ENDBRANCH 21 25 ENDBRANCH 3 19 BRANCH 1 29 ATOM 29 C LIG 1 -2.221 1.306 0.870 0.00 0.00 +0.165 C BRANCH 29 33 ATOM 30 C LIG 1 -0.487 5.454 -1.042 0.00 0.00 +0.065 C ATOM 31 C LIG 1 -1.131 4.119 -1.268 0.00 0.00 +0.039 A ATOM 32 N LIG 1 -1.389 3.361 -0.176 0.00 0.00 -0.255 NA ATOM 33 C LIG 1 -1.967 2.146 -0.365 0.00 0.00 +0.059 A ATOM 34 C LIG 1 -2.296 1.664 -1.629 0.00 0.00 +0.025 A ATOM 35 C LIG 1 -2.024 2.456 -2.739 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -1.434 3.702 -2.559 0.00 0.00 +0.023 A ENDBRANCH 29 33 ENDBRANCH 1 29 TORSDOF 7