REMARK Name = BDB025363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.676 -0.625 -1.426 0.00 0.00 +0.255 C ATOM 2 N LIG 1 0.671 -0.393 -1.824 0.00 0.00 -0.201 N ATOM 3 C LIG 1 1.847 -0.082 -1.139 0.00 0.00 +0.069 A ATOM 4 C LIG 1 2.033 0.256 0.298 0.00 0.00 +0.165 C ATOM 5 N LIG 1 3.436 0.699 0.566 0.00 0.00 -0.175 NA ATOM 6 C LIG 1 4.473 -0.050 -0.220 0.00 0.00 +0.114 C ATOM 7 C LIG 1 4.286 0.153 -1.729 0.00 0.00 +0.057 C ATOM 8 C LIG 1 2.866 -0.105 -2.077 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.246 -0.376 -3.294 0.00 0.00 +0.142 A ATOM 10 N LIG 1 0.941 -0.532 -3.160 0.00 0.00 -0.149 NA ATOM 11 O LIG 1 -1.545 -0.738 -2.289 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 15 ATOM 12 C LIG 1 -4.259 1.052 0.448 0.00 0.00 +0.120 A ATOM 13 C LIG 1 -2.981 0.690 0.015 0.00 0.00 +0.051 A ATOM 14 C LIG 1 -2.336 -0.458 0.513 0.00 0.00 -0.011 A ATOM 15 C LIG 1 -0.935 -0.841 0.051 0.00 0.00 +0.113 C ATOM 16 C LIG 1 -0.678 -2.328 0.334 0.00 0.00 +0.036 C ATOM 17 C LIG 1 -0.979 -2.642 1.787 0.00 0.00 +0.102 C ATOM 18 N LIG 1 -2.340 -2.292 2.141 0.00 0.00 -0.344 N ATOM 19 H LIG 1 -2.961 -3.073 2.333 0.00 0.00 +0.146 HD ATOM 20 C LIG 1 -2.973 -1.229 1.498 0.00 0.00 +0.031 A ATOM 21 C LIG 1 -4.250 -0.852 1.932 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -4.895 0.273 1.408 0.00 0.00 +0.047 A BRANCH 12 24 ATOM 23 C LIG 1 -6.101 2.530 0.189 0.00 0.00 +0.277 C ATOM 24 O LIG 1 -4.759 2.187 -0.129 0.00 0.00 -0.495 OA ENDBRANCH 12 24 ENDBRANCH 1 15 BRANCH 5 25 ATOM 25 S LIG 1 3.686 2.375 0.698 0.00 0.00 +0.029 S ATOM 26 O LIG 1 5.112 2.612 0.772 0.00 0.00 -0.158 OA ATOM 27 O LIG 1 2.865 3.032 -0.294 0.00 0.00 -0.158 OA ATOM 28 C LIG 1 3.007 2.707 2.311 0.00 0.00 +0.215 C ENDBRANCH 5 25 BRANCH 9 29 ATOM 29 N LIG 1 2.877 -0.458 -4.471 0.00 0.00 -0.341 N ATOM 30 H LIG 1 3.713 0.095 -4.619 0.00 0.00 +0.144 HD ATOM 31 H LIG 1 2.260 -0.436 -5.278 0.00 0.00 +0.144 HD ENDBRANCH 9 29 TORSDOF 4