REMARK Name = BDB059248 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.497 1.875 -0.025 0.00 0.00 +0.262 C ATOM 2 N LIG 1 1.199 0.733 -0.370 0.00 0.00 -0.228 N ATOM 3 H LIG 1 0.773 -0.190 -0.239 0.00 0.00 +0.171 HD ATOM 4 O LIG 1 1.073 2.940 0.193 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 11 ATOM 5 C LIG 1 -3.832 4.072 1.144 0.00 0.00 +0.044 C ATOM 6 C LIG 1 -3.086 2.873 0.638 0.00 0.00 -0.049 A ATOM 7 C LIG 1 -3.767 1.685 0.338 0.00 0.00 +0.016 A ATOM 8 C LIG 1 -3.082 0.535 -0.100 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -1.685 0.605 -0.219 0.00 0.00 +0.145 A ATOM 10 F LIG 1 -1.012 -0.470 -0.665 0.00 0.00 -0.204 F ATOM 11 C LIG 1 -0.982 1.773 0.091 0.00 0.00 +0.074 A ATOM 12 C LIG 1 -1.691 2.904 0.523 0.00 0.00 +0.019 A BRANCH 8 13 ATOM 13 C LIG 1 -3.808 -0.703 -0.407 0.00 0.00 +0.074 A ATOM 14 N LIG 1 -3.365 -1.815 0.227 0.00 0.00 -0.255 NA ATOM 15 C LIG 1 -4.010 -2.977 -0.018 0.00 0.00 +0.111 A ATOM 16 C LIG 1 -5.094 -3.090 -0.870 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -5.544 -1.944 -1.511 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -4.896 -0.733 -1.279 0.00 0.00 +0.028 A ENDBRANCH 8 13 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 N LIG 1 2.719 0.794 -0.138 0.00 0.00 -0.108 NA ATOM 20 H LIG 1 2.987 1.753 0.142 0.00 0.00 +0.172 HD BRANCH 19 21 ATOM 21 S LIG 1 3.276 -0.275 1.089 0.00 0.00 +0.076 S ATOM 22 O LIG 1 3.690 0.583 2.177 0.00 0.00 -0.152 OA ATOM 23 O LIG 1 2.272 -1.307 1.240 0.00 0.00 -0.152 OA BRANCH 21 24 ATOM 24 C LIG 1 4.695 -1.009 0.358 0.00 0.00 +0.142 A ATOM 25 C LIG 1 5.680 -1.519 1.194 0.00 0.00 +0.150 A ATOM 26 F LIG 1 5.546 -1.490 2.526 0.00 0.00 -0.203 F ATOM 27 C LIG 1 6.828 -2.094 0.656 0.00 0.00 +0.040 A ATOM 28 C LIG 1 6.989 -2.161 -0.728 0.00 0.00 +0.003 A ATOM 29 C LIG 1 5.997 -1.655 -1.571 0.00 0.00 +0.002 A ATOM 30 C LIG 1 4.846 -1.077 -1.031 0.00 0.00 +0.031 A ENDBRANCH 21 24 ENDBRANCH 19 21 ENDBRANCH 2 19 TORSDOF 5