REMARK Name = BDB057351 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.305 0.930 1.053 0.00 0.00 +0.146 A ATOM 2 N LIG 1 1.553 -0.159 0.587 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.255 0.234 0.673 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.112 -0.263 0.379 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -1.891 0.826 1.055 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.093 1.923 1.462 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.444 3.000 1.915 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.259 1.465 1.255 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.513 1.905 1.494 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.304 0.867 1.012 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.093 -0.175 1.539 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.528 -1.304 2.358 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.488 -0.129 1.366 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.095 0.956 0.734 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.313 2.011 0.279 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.062 3.359 -0.486 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -3.928 1.976 0.422 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -1.416 -0.336 -1.122 0.00 0.00 -0.018 A ATOM 19 C LIG 1 -1.968 -1.486 -1.736 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -2.316 -2.740 -0.981 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -2.256 -1.466 -3.116 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -1.988 -0.340 -3.889 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -2.342 -0.351 -5.572 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -1.439 0.791 -3.306 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.160 0.793 -1.938 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 27 ATOM 26 C LIG 1 4.574 0.895 -0.040 0.00 0.00 +0.131 A ATOM 27 C LIG 1 3.768 0.998 1.104 0.00 0.00 +0.059 A ATOM 28 C LIG 1 4.391 1.211 2.342 0.00 0.00 +0.015 A ATOM 29 C LIG 1 5.784 1.267 2.441 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.571 1.115 1.300 0.00 0.00 +0.004 A ATOM 31 C LIG 1 5.967 0.926 0.058 0.00 0.00 +0.046 A BRANCH 26 33 ATOM 32 C LIG 1 3.740 1.966 -1.889 0.00 0.00 +0.277 C ATOM 33 O LIG 1 4.027 0.702 -1.285 0.00 0.00 -0.494 OA ENDBRANCH 26 33 ENDBRANCH 1 27 BRANCH 2 34 ATOM 34 C LIG 1 2.077 -1.470 0.217 0.00 0.00 +0.083 C ATOM 35 C LIG 1 1.804 -1.835 -1.240 0.00 0.00 +0.030 C ATOM 36 C LIG 1 1.591 -2.565 1.168 0.00 0.00 +0.030 C ENDBRANCH 2 34 TORSDOF 5