REMARK Name = BDB050357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.587 0.262 0.153 0.00 0.00 +0.138 A ATOM 2 C LIG 1 -0.232 -0.906 -0.555 0.00 0.00 +0.026 A ATOM 3 C LIG 1 1.099 -1.036 -1.029 0.00 0.00 +0.007 A ATOM 4 C LIG 1 1.445 -2.215 -1.730 0.00 0.00 +0.010 A ATOM 5 C LIG 1 0.516 -3.229 -1.970 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.786 -3.093 -1.512 0.00 0.00 +0.001 A ATOM 7 C LIG 1 2.039 0.007 -0.782 0.00 0.00 +0.041 A ATOM 8 C LIG 1 1.625 1.175 -0.120 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -1.155 -1.945 -0.813 0.00 0.00 +0.012 A ATOM 10 C LIG 1 0.322 1.302 0.349 0.00 0.00 +0.049 A ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 3.348 -0.084 -1.340 0.00 0.00 -0.293 N ATOM 12 H LIG 1 3.292 0.094 -2.340 0.00 0.00 +0.154 HD BRANCH 11 13 ATOM 13 C LIG 1 4.470 0.451 -0.793 0.00 0.00 +0.163 A ATOM 14 S LIG 1 4.869 0.323 0.881 0.00 0.00 -0.052 S ATOM 15 C LIG 1 6.338 1.172 0.609 0.00 0.00 +0.041 A ATOM 16 C LIG 1 6.436 1.477 -0.748 0.00 0.00 +0.080 A ATOM 17 C LIG 1 7.574 2.174 -1.205 0.00 0.00 +0.029 A ATOM 18 C LIG 1 8.573 2.545 -0.299 0.00 0.00 +0.002 A ATOM 19 C LIG 1 8.453 2.230 1.050 0.00 0.00 +0.001 A ATOM 20 C LIG 1 7.335 1.538 1.528 0.00 0.00 +0.017 A ATOM 21 N LIG 1 5.377 1.051 -1.530 0.00 0.00 -0.225 NA ENDBRANCH 11 13 ENDBRANCH 7 11 BRANCH 1 22 ATOM 22 O LIG 1 -1.880 0.458 0.588 0.00 0.00 -0.437 OA BRANCH 22 24 ATOM 23 C LIG 1 -3.527 -0.155 2.200 0.00 0.00 +0.062 A ATOM 24 C LIG 1 -2.175 0.001 1.873 0.00 0.00 +0.230 A ATOM 25 N LIG 1 -1.153 -0.205 2.745 0.00 0.00 -0.220 NA ATOM 26 C LIG 1 -1.477 -0.617 3.986 0.00 0.00 +0.114 A ATOM 27 C LIG 1 -2.777 -0.815 4.412 0.00 0.00 +0.021 A ATOM 28 C LIG 1 -3.811 -0.577 3.508 0.00 0.00 +0.017 A BRANCH 23 31 ATOM 29 C LIG 1 -5.571 -0.486 -0.765 0.00 0.00 +0.215 A ATOM 30 N LIG 1 -4.602 -0.681 0.136 0.00 0.00 -0.214 NA ATOM 31 C LIG 1 -4.606 0.096 1.240 0.00 0.00 +0.081 A ATOM 32 C LIG 1 -5.573 1.054 1.463 0.00 0.00 +0.048 A ATOM 33 C LIG 1 -6.525 1.177 0.483 0.00 0.00 +0.116 A ATOM 34 N LIG 1 -6.542 0.427 -0.631 0.00 0.00 -0.223 NA BRANCH 29 36 ATOM 35 C LIG 1 -5.959 -0.664 -3.106 0.00 0.00 +0.128 C ATOM 36 N LIG 1 -5.515 -1.302 -1.887 0.00 0.00 -0.317 N ATOM 37 H LIG 1 -4.567 -1.664 -1.913 0.00 0.00 +0.149 HD ENDBRANCH 29 36 ENDBRANCH 23 31 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 6