REMARK Name = BDB010565 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.610 -0.584 1.905 0.00 0.00 +0.199 A ATOM 2 N LIG 1 -0.513 -0.425 1.105 0.00 0.00 -0.309 N ATOM 3 C LIG 1 -0.895 -1.676 0.663 0.00 0.00 +0.115 A ATOM 4 C LIG 1 0.070 -2.521 1.189 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.112 -3.847 0.984 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -0.882 -4.283 0.211 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.878 -3.555 -0.346 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 -1.909 -2.222 -0.115 0.00 0.00 +0.101 A ATOM 9 N LIG 1 0.969 -1.842 1.947 0.00 0.00 -0.195 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -0.928 -5.733 -0.084 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -1.925 -6.211 -0.847 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -2.680 -5.688 -1.258 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -1.733 -7.532 -0.957 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -2.442 -8.308 -1.577 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -0.603 -7.867 -0.254 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -0.101 -6.647 0.308 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -3.024 -1.500 -0.710 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -4.103 -1.062 0.073 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -5.172 -0.382 -0.512 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 -6.469 0.172 0.472 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 -5.194 -0.144 -1.884 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -4.143 -0.596 -2.679 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.070 -1.274 -2.096 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 N LIG 1 1.206 0.462 2.529 0.00 0.00 -0.308 N ATOM 25 H LIG 1 1.005 1.401 2.208 0.00 0.00 +0.149 HD BRANCH 24 27 ATOM 26 C LIG 1 2.863 -0.808 3.953 0.00 0.00 +0.033 C ATOM 27 C LIG 1 2.580 0.386 3.040 0.00 0.00 +0.100 C BRANCH 27 28 ATOM 28 C LIG 1 3.570 0.586 1.904 0.00 0.00 -0.025 A ATOM 29 C LIG 1 3.941 -0.467 1.053 0.00 0.00 +0.043 A ATOM 30 C LIG 1 4.817 -0.237 -0.004 0.00 0.00 +0.124 A ATOM 31 F LIG 1 5.158 -1.250 -0.811 0.00 0.00 -0.205 F ATOM 32 C LIG 1 5.339 1.028 -0.242 0.00 0.00 +0.038 A ATOM 33 C LIG 1 4.977 2.085 0.587 0.00 0.00 +0.003 A ATOM 34 C LIG 1 4.096 1.867 1.650 0.00 0.00 +0.005 A ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 2 35 ATOM 35 C LIG 1 -1.172 0.835 0.809 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -0.861 1.413 -0.587 0.00 0.00 +0.009 C ATOM 37 C LIG 1 0.610 1.841 -0.770 0.00 0.00 +0.005 C ATOM 38 C LIG 1 0.835 3.301 -0.395 0.00 0.00 +0.003 C ATOM 39 C LIG 1 0.008 4.256 -1.277 0.00 0.00 -0.014 C ATOM 40 C LIG 1 0.854 4.845 -2.407 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -1.250 3.583 -1.855 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -1.836 2.575 -0.875 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 7