REMARK Name = BDB006132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.312 -1.039 0.850 0.00 0.00 -0.267 N ATOM 2 C LIG 1 0.291 -0.193 1.278 0.00 0.00 +0.048 A ATOM 3 C LIG 1 -0.830 -0.683 0.642 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -2.302 -0.515 0.489 0.00 0.00 +0.146 C ATOM 5 N LIG 1 -2.649 -1.653 -0.419 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -1.533 -2.496 -0.669 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.520 -3.576 -1.239 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.416 -1.819 -0.049 0.00 0.00 +0.153 A ATOM 9 N LIG 1 0.883 -2.059 0.064 0.00 0.00 -0.166 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.943 -2.223 -0.302 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -5.024 -1.730 -1.054 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -4.879 -0.657 -2.097 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -6.304 -2.272 -0.840 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.500 -3.308 0.073 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.415 -3.816 0.780 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -5.653 -5.096 1.905 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.141 -3.283 0.596 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.565 0.848 -0.129 0.00 0.00 -0.019 A ATOM 19 C LIG 1 -3.520 1.734 0.430 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -4.329 1.379 1.650 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -3.739 2.988 -0.170 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -3.045 3.361 -1.318 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -3.335 4.899 -2.032 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.128 2.494 -1.894 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.895 1.248 -1.309 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 2 26 ATOM 26 C LIG 1 0.498 0.942 2.244 0.00 0.00 +0.032 C ATOM 27 C LIG 1 0.289 2.303 1.583 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -0.397 0.788 3.474 0.00 0.00 +0.014 C ENDBRANCH 2 26 BRANCH 1 29 ATOM 29 C LIG 1 2.725 -0.996 1.195 0.00 0.00 +0.147 C BRANCH 29 35 ATOM 30 C LIG 1 8.326 1.101 -1.409 0.00 0.00 +0.109 C ATOM 31 C LIG 1 7.254 0.116 -1.803 0.00 0.00 +0.212 C ATOM 32 N LIG 1 6.101 0.096 -1.030 0.00 0.00 -0.302 N ATOM 33 C LIG 1 5.908 0.905 0.172 0.00 0.00 +0.108 C ATOM 34 C LIG 1 4.888 0.278 1.116 0.00 0.00 +0.024 C ATOM 35 C LIG 1 3.514 0.093 0.445 0.00 0.00 +0.013 C ATOM 36 C LIG 1 3.650 -0.197 -1.064 0.00 0.00 +0.024 C ATOM 37 C LIG 1 5.007 -0.790 -1.429 0.00 0.00 +0.108 C ATOM 38 O LIG 1 7.423 -0.629 -2.769 0.00 0.00 -0.276 OA ENDBRANCH 29 35 ENDBRANCH 1 29 TORSDOF 5