REMARK Name = BDB019771 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.398 -0.470 -0.783 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.341 0.630 -1.649 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.826 1.400 -1.755 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -1.944 1.040 -0.984 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.907 -0.064 -0.119 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.729 -0.822 -0.031 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.882 2.552 -2.660 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -0.752 3.883 -2.219 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -0.536 4.221 -0.769 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -0.838 4.918 -3.159 0.00 0.00 +0.023 A ATOM 11 C LIG 1 -1.037 4.602 -4.494 0.00 0.00 +0.111 A ATOM 12 N LIG 1 -1.157 3.342 -4.954 0.00 0.00 -0.263 NA ATOM 13 C LIG 1 -1.075 2.354 -4.031 0.00 0.00 +0.119 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 1.925 -1.888 0.478 0.00 0.00 -0.307 N ATOM 15 H LIG 1 1.382 -1.641 1.292 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 1.665 -1.250 -0.716 0.00 0.00 +0.244 C ATOM 17 O LIG 1 2.423 -1.270 -1.678 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 3.191 -2.545 0.718 0.00 0.00 +0.139 C BRANCH 18 25 ATOM 19 C LIG 1 6.475 1.268 0.756 0.00 0.00 +0.045 C ATOM 20 C LIG 1 5.711 0.220 1.515 0.00 0.00 -0.032 A ATOM 21 C LIG 1 5.820 0.082 2.906 0.00 0.00 +0.044 A ATOM 22 CL LIG 1 6.846 1.111 3.840 0.00 0.00 -0.083 Cl ATOM 23 C LIG 1 5.090 -0.899 3.582 0.00 0.00 +0.020 A ATOM 24 C LIG 1 4.242 -1.756 2.878 0.00 0.00 +0.006 A ATOM 25 C LIG 1 4.122 -1.644 1.489 0.00 0.00 -0.030 A ATOM 26 C LIG 1 4.855 -0.650 0.819 0.00 0.00 +0.010 A ENDBRANCH 18 25 ENDBRANCH 14 18 ENDBRANCH 1 16 BRANCH 5 27 ATOM 27 C LIG 1 -3.125 -0.461 0.681 0.00 0.00 +0.139 C BRANCH 27 28 ATOM 28 N LIG 1 -3.694 -1.667 0.113 0.00 0.00 -0.313 N ATOM 29 H LIG 1 -3.818 -1.608 -0.891 0.00 0.00 +0.149 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.732 -2.271 0.729 0.00 0.00 +0.176 C ATOM 31 N LIG 1 -5.324 -3.242 -0.014 0.00 0.00 -0.316 N ATOM 32 H LIG 1 -4.667 -3.817 -0.526 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 -6.208 -3.969 0.875 0.00 0.00 +0.127 C ATOM 34 C LIG 1 -6.324 -2.997 2.054 0.00 0.00 +0.163 C ATOM 35 N LIG 1 -5.184 -2.048 1.926 0.00 0.00 -0.255 NA ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 7