REMARK Name = BDB051404 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.554 0.596 -0.499 0.00 0.00 +0.018 A ATOM 2 C LIG 1 1.173 0.332 -0.386 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.250 1.056 -1.171 0.00 0.00 +0.029 A ATOM 4 C LIG 1 0.744 2.012 -2.050 0.00 0.00 +0.135 A ATOM 5 O LIG 1 -0.274 2.602 -2.732 0.00 0.00 -0.462 OA ATOM 6 C LIG 1 -1.426 2.031 -2.296 0.00 0.00 +0.204 A ATOM 7 C LIG 1 2.094 2.311 -2.200 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -1.169 1.074 -1.335 0.00 0.00 +0.028 A ATOM 9 C LIG 1 2.988 1.583 -1.403 0.00 0.00 +0.015 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 7.017 -0.420 0.975 0.00 0.00 +0.086 C ATOM 11 C LIG 1 5.555 -0.619 0.993 0.00 0.00 +0.103 A ATOM 12 O LIG 1 4.830 0.176 0.160 0.00 0.00 -0.460 OA ATOM 13 C LIG 1 3.511 -0.152 0.316 0.00 0.00 +0.135 A ATOM 14 C LIG 1 3.404 -1.161 1.254 0.00 0.00 +0.050 A ATOM 15 C LIG 1 4.719 -1.461 1.689 0.00 0.00 +0.045 A ENDBRANCH 1 13 BRANCH 8 16 ATOM 16 C LIG 1 -2.206 0.307 -0.671 0.00 0.00 -0.014 A ATOM 17 C LIG 1 -3.209 -0.332 -1.411 0.00 0.00 +0.010 A ATOM 18 C LIG 1 -4.200 -1.077 -0.765 0.00 0.00 +0.017 A ATOM 19 C LIG 1 -4.203 -1.187 0.629 0.00 0.00 +0.026 A ATOM 20 C LIG 1 -3.200 -0.556 1.370 0.00 0.00 +0.017 A ATOM 21 C LIG 1 -2.209 0.189 0.724 0.00 0.00 +0.010 A BRANCH 19 22 ATOM 22 S LIG 1 -5.486 -2.159 1.450 0.00 0.00 -0.015 S ATOM 23 O LIG 1 -5.062 -2.268 3.051 0.00 0.00 -0.157 OA ATOM 24 C LIG 1 -6.810 -0.929 1.328 0.00 0.00 +0.112 C ENDBRANCH 19 22 ENDBRANCH 8 16 TORSDOF 3