REMARK Name = BDB050356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.702 -1.375 0.259 0.00 0.00 +0.138 A ATOM 2 C LIG 1 -0.109 -2.393 -0.514 0.00 0.00 +0.026 A ATOM 3 C LIG 1 1.262 -2.280 -0.868 0.00 0.00 +0.007 A ATOM 4 C LIG 1 1.815 -3.307 -1.674 0.00 0.00 +0.010 A ATOM 5 C LIG 1 1.065 -4.409 -2.092 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.265 -4.518 -1.722 0.00 0.00 +0.001 A ATOM 7 C LIG 1 2.016 -1.146 -0.422 0.00 0.00 +0.043 A ATOM 8 C LIG 1 1.367 -0.139 0.309 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -0.846 -3.519 -0.944 0.00 0.00 +0.012 A ATOM 10 C LIG 1 0.021 -0.247 0.644 0.00 0.00 +0.049 A ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 3.389 -1.041 -0.764 0.00 0.00 -0.268 N ATOM 12 H LIG 1 3.879 -1.923 -0.688 0.00 0.00 +0.157 HD BRANCH 11 13 ATOM 13 C LIG 1 4.189 0.039 -0.776 0.00 0.00 +0.293 A ATOM 14 O LIG 1 3.631 1.281 -0.928 0.00 0.00 -0.424 OA ATOM 15 C LIG 1 4.699 2.127 -0.945 0.00 0.00 +0.157 A ATOM 16 C LIG 1 5.844 1.361 -0.819 0.00 0.00 +0.111 A ATOM 17 C LIG 1 7.090 2.000 -0.810 0.00 0.00 +0.031 A ATOM 18 C LIG 1 7.115 3.399 -0.930 0.00 0.00 +0.002 A ATOM 19 C LIG 1 5.931 4.137 -1.056 0.00 0.00 +0.004 A ATOM 20 C LIG 1 4.679 3.511 -1.067 0.00 0.00 +0.048 A ATOM 21 N LIG 1 5.506 0.035 -0.724 0.00 0.00 -0.195 NA ENDBRANCH 11 13 ENDBRANCH 7 11 BRANCH 1 22 ATOM 22 O LIG 1 -2.049 -1.442 0.555 0.00 0.00 -0.437 OA BRANCH 22 24 ATOM 23 C LIG 1 -3.446 -0.705 2.350 0.00 0.00 +0.062 A ATOM 24 C LIG 1 -2.361 -1.471 1.909 0.00 0.00 +0.230 A ATOM 25 N LIG 1 -1.653 -2.323 2.696 0.00 0.00 -0.220 NA ATOM 26 C LIG 1 -2.009 -2.395 3.993 0.00 0.00 +0.114 A ATOM 27 C LIG 1 -3.054 -1.673 4.541 0.00 0.00 +0.021 A ATOM 28 C LIG 1 -3.780 -0.823 3.708 0.00 0.00 +0.017 A BRANCH 23 31 ATOM 29 C LIG 1 -4.099 2.010 0.056 0.00 0.00 +0.215 A ATOM 30 N LIG 1 -3.462 1.167 0.876 0.00 0.00 -0.214 NA ATOM 31 C LIG 1 -4.189 0.191 1.462 0.00 0.00 +0.081 A ATOM 32 C LIG 1 -5.545 0.057 1.252 0.00 0.00 +0.048 A ATOM 33 C LIG 1 -6.108 0.970 0.397 0.00 0.00 +0.116 A ATOM 34 N LIG 1 -5.410 1.945 -0.210 0.00 0.00 -0.223 NA BRANCH 29 36 ATOM 35 C LIG 1 -3.691 3.329 -1.881 0.00 0.00 +0.128 C ATOM 36 N LIG 1 -3.303 2.985 -0.531 0.00 0.00 -0.317 N ATOM 37 H LIG 1 -2.350 2.650 -0.433 0.00 0.00 +0.149 HD ENDBRANCH 29 36 ENDBRANCH 23 31 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 6