REMARK Name = BDB025507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.141 0.250 0.314 0.00 0.00 +0.255 C ATOM 2 N LIG 1 -0.044 -0.248 1.046 0.00 0.00 -0.201 N ATOM 3 C LIG 1 1.286 -0.282 0.677 0.00 0.00 +0.069 A ATOM 4 C LIG 1 1.848 0.187 -0.619 0.00 0.00 +0.165 C ATOM 5 N LIG 1 3.286 -0.272 -0.693 0.00 0.00 -0.175 NA ATOM 6 C LIG 1 4.036 -0.040 0.593 0.00 0.00 +0.114 C ATOM 7 C LIG 1 3.462 -0.927 1.717 0.00 0.00 +0.057 C ATOM 8 C LIG 1 1.987 -0.786 1.750 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.016 -1.073 2.713 0.00 0.00 +0.142 A ATOM 10 N LIG 1 -0.208 -0.767 2.298 0.00 0.00 -0.149 NA ATOM 11 O LIG 1 -0.931 0.760 -0.782 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 19 ATOM 12 C LIG 1 -7.174 1.374 -0.590 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.905 0.572 -0.705 0.00 0.00 -0.029 A ATOM 14 C LIG 1 -4.864 0.689 0.244 0.00 0.00 +0.034 A ATOM 15 N LIG 1 -4.990 1.601 1.309 0.00 0.00 -0.343 N ATOM 16 H LIG 1 -5.957 1.716 1.599 0.00 0.00 +0.146 HD ATOM 17 C LIG 1 -4.084 1.409 2.428 0.00 0.00 +0.102 C ATOM 18 C LIG 1 -2.659 1.345 1.919 0.00 0.00 +0.036 C ATOM 19 C LIG 1 -2.491 0.122 1.009 0.00 0.00 +0.113 C ATOM 20 C LIG 1 -3.659 -0.019 0.034 0.00 0.00 -0.014 A ATOM 21 C LIG 1 -3.567 -0.927 -1.036 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -4.618 -1.078 -1.935 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -5.775 -0.325 -1.776 0.00 0.00 +0.005 A ENDBRANCH 1 19 BRANCH 5 24 ATOM 24 S LIG 1 4.070 0.328 -2.102 0.00 0.00 +0.039 S ATOM 25 O LIG 1 3.166 0.066 -3.204 0.00 0.00 -0.158 OA ATOM 26 O LIG 1 4.443 1.694 -1.792 0.00 0.00 -0.158 OA BRANCH 24 27 ATOM 27 C LIG 1 5.508 -0.673 -2.335 0.00 0.00 +0.199 C ATOM 28 C LIG 1 6.817 -0.148 -1.758 0.00 0.00 +0.190 C ATOM 29 O LIG 1 7.493 -0.393 -3.022 0.00 0.00 -0.376 OA ATOM 30 C LIG 1 6.197 -0.471 -3.680 0.00 0.00 +0.190 C ENDBRANCH 24 27 ENDBRANCH 5 24 BRANCH 9 31 ATOM 31 N LIG 1 1.272 -1.598 3.915 0.00 0.00 -0.341 N ATOM 32 H LIG 1 0.472 -1.960 4.424 0.00 0.00 +0.144 HD ATOM 33 H LIG 1 2.112 -2.144 4.064 0.00 0.00 +0.144 HD ENDBRANCH 9 31 TORSDOF 4