REMARK Name = BDB006420 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.265 -3.622 -3.036 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.387 -2.858 -1.763 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.564 -1.931 -1.235 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.055 -1.437 -0.032 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.752 -0.485 0.732 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.995 -0.038 0.270 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.535 -0.532 -0.919 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.173 -2.046 0.168 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.820 -1.465 -1.683 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.446 -2.919 -0.869 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.697 -3.728 -0.945 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.859 -0.077 -1.429 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.769 0.329 -0.475 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -4.592 0.063 0.485 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -4.104 -0.106 -2.629 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -6.147 0.655 -0.821 0.00 0.00 +0.103 C ATOM 17 C LIG 1 -6.987 -0.609 -1.036 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.798 1.580 0.202 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -6.733 1.356 1.596 0.00 0.00 +0.047 A ATOM 20 CL LIG 1 -5.903 0.004 2.297 0.00 0.00 -0.083 Cl ATOM 21 C LIG 1 -7.352 2.223 2.507 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -8.063 3.329 2.059 0.00 0.00 +0.003 A ATOM 23 C LIG 1 -8.164 3.563 0.694 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -7.549 2.700 -0.224 0.00 0.00 +0.047 A ATOM 25 CL LIG 1 -7.794 3.083 -1.896 0.00 0.00 -0.083 Cl ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 2.027 -1.832 1.338 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 3.236 -0.975 1.046 0.00 0.00 -0.028 A ATOM 28 C LIG 1 3.125 0.256 0.387 0.00 0.00 +0.006 A ATOM 29 C LIG 1 4.256 1.044 0.151 0.00 0.00 +0.009 A ATOM 30 C LIG 1 5.529 0.636 0.577 0.00 0.00 -0.018 A ATOM 31 C LIG 1 5.631 -0.590 1.252 0.00 0.00 +0.009 A ATOM 32 C LIG 1 4.502 -1.383 1.487 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 6.718 1.466 0.325 0.00 0.00 -0.018 A ATOM 34 C LIG 1 7.026 1.915 -0.970 0.00 0.00 +0.008 A ATOM 35 C LIG 1 8.154 2.703 -1.212 0.00 0.00 +0.001 A ATOM 36 C LIG 1 8.996 3.057 -0.160 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.710 2.623 1.131 0.00 0.00 +0.001 A ATOM 38 C LIG 1 7.581 1.835 1.371 0.00 0.00 +0.008 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 6