REMARK Name = BDB028334 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.109 -1.919 -0.663 0.00 0.00 +0.078 A ATOM 2 N LIG 1 -1.634 -3.156 -0.976 0.00 0.00 -0.266 N ATOM 3 C LIG 1 -2.908 -3.700 -0.562 0.00 0.00 +0.173 C ATOM 4 N LIG 1 -0.836 -3.899 -1.764 0.00 0.00 -0.179 NA ATOM 5 C LIG 1 0.212 -3.107 -1.994 0.00 0.00 +0.143 A ATOM 6 C LIG 1 0.110 -1.869 -1.327 0.00 0.00 +0.027 A ENDROOT BRANCH 6 7 ATOM 7 C LIG 1 1.024 -0.743 -1.323 0.00 0.00 -0.014 A ATOM 8 C LIG 1 1.498 -0.212 -0.114 0.00 0.00 +0.019 A ATOM 9 C LIG 1 2.366 0.887 -0.116 0.00 0.00 +0.012 A ATOM 10 C LIG 1 2.783 1.429 -1.328 0.00 0.00 +0.050 A ATOM 11 C LIG 1 3.728 2.557 -1.321 0.00 0.00 +0.272 A ATOM 12 N LIG 1 4.141 2.993 -0.086 0.00 0.00 -0.242 N ATOM 13 H LIG 1 4.795 3.769 -0.062 0.00 0.00 +0.192 HD ATOM 14 N LIG 1 3.728 2.508 1.117 0.00 0.00 -0.174 NA ATOM 15 O LIG 1 4.122 3.068 -2.363 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 2.322 0.902 -2.539 0.00 0.00 +0.014 A ATOM 17 C LIG 1 2.880 1.520 1.125 0.00 0.00 +0.083 A ATOM 18 C LIG 1 1.441 -0.181 -2.535 0.00 0.00 +0.009 A BRANCH 17 19 ATOM 19 C LIG 1 2.410 1.017 2.487 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 3.109 -0.227 2.812 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 4.114 -0.037 2.816 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 2.883 -0.491 3.771 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 6 7 BRANCH 1 26 ATOM 23 C LIG 1 -3.645 2.428 -0.058 0.00 0.00 +0.045 C ATOM 24 C LIG 1 -2.996 1.179 0.483 0.00 0.00 -0.031 A ATOM 25 C LIG 1 -2.386 0.233 -0.371 0.00 0.00 +0.064 A ATOM 26 C LIG 1 -1.788 -0.924 0.173 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -1.801 -1.125 1.562 0.00 0.00 +0.031 A ATOM 28 C LIG 1 -2.400 -0.188 2.399 0.00 0.00 +0.042 A ATOM 29 CL LIG 1 -2.395 -0.439 4.100 0.00 0.00 -0.084 Cl ATOM 30 C LIG 1 -2.995 0.955 1.870 0.00 0.00 +0.024 A BRANCH 25 31 ATOM 31 C LIG 1 -2.384 0.451 -1.795 0.00 0.00 +0.100 C ATOM 32 N LIG 1 -2.400 0.648 -2.939 0.00 0.00 -0.191 NA ENDBRANCH 25 31 ENDBRANCH 1 26 TORSDOF 5