REMARK Name = BDB010657 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.106 -1.022 -1.245 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.207 -0.652 -1.022 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -0.879 -1.767 -0.565 0.00 0.00 +0.115 A ATOM 4 C LIG 1 0.118 -2.722 -0.429 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.081 -3.962 0.043 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -1.353 -4.190 0.376 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -2.404 -3.342 0.273 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 -2.182 -2.101 -0.219 0.00 0.00 +0.101 A ATOM 9 N LIG 1 1.326 -2.252 -0.845 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.682 -5.528 0.917 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -2.954 -5.803 1.252 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.748 -5.189 1.177 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -2.975 -7.062 1.705 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -3.959 -7.664 2.101 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -1.699 -7.565 1.649 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -0.874 -6.518 1.121 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -3.350 -1.243 -0.353 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -3.973 -0.703 0.783 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -5.093 0.117 0.653 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 -5.820 0.794 2.057 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 -5.623 0.397 -0.604 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -5.031 -0.151 -1.741 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.905 -0.969 -1.615 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 3.420 -0.316 -1.320 0.00 0.00 +0.162 C ATOM 25 N LIG 1 2.007 -0.164 -1.787 0.00 0.00 -0.289 N ATOM 26 C LIG 1 2.009 -0.090 -3.260 0.00 0.00 +0.109 C ATOM 27 C LIG 1 3.450 0.212 -3.644 0.00 0.00 +0.021 C ATOM 28 C LIG 1 4.238 -0.547 -2.593 0.00 0.00 +0.033 C BRANCH 24 31 ATOM 29 C LIG 1 5.399 2.036 1.014 0.00 0.00 +0.131 C ATOM 30 N LIG 1 5.035 0.871 0.223 0.00 0.00 -0.306 N ATOM 31 C LIG 1 3.906 0.973 -0.600 0.00 0.00 +0.236 C ATOM 32 O LIG 1 3.347 2.060 -0.782 0.00 0.00 -0.274 OA ATOM 33 C LIG 1 5.595 -0.398 0.663 0.00 0.00 +0.131 C ENDBRANCH 24 31 ENDBRANCH 1 25 BRANCH 2 34 ATOM 34 C LIG 1 -0.739 0.693 -1.165 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -0.976 1.413 0.176 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -1.876 2.639 -0.039 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -2.127 3.391 1.266 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -0.815 3.804 1.942 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -1.090 4.505 3.272 0.00 0.00 +0.007 C ATOM 40 C LIG 1 0.098 2.589 2.149 0.00 0.00 +0.003 C ATOM 41 C LIG 1 0.342 1.836 0.842 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 6