REMARK Name = BDB015632 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.372 -0.128 1.811 0.00 0.00 +0.241 A ATOM 2 N LIG 1 0.954 -0.744 0.720 0.00 0.00 -0.193 NA ATOM 3 C LIG 1 -0.124 -0.194 0.167 0.00 0.00 +0.170 A ATOM 4 N LIG 1 -0.714 0.916 0.604 0.00 0.00 -0.175 NA ATOM 5 C LIG 1 -0.148 1.467 1.678 0.00 0.00 +0.328 A ATOM 6 N LIG 1 0.921 1.006 2.311 0.00 0.00 -0.160 NA ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.692 -0.867 -1.034 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -1.639 -0.245 -1.765 0.00 0.00 +0.100 A ATOM 9 N LIG 1 -2.202 -0.816 -2.899 0.00 0.00 -0.318 N ATOM 10 C LIG 1 -3.212 -0.063 -3.625 0.00 0.00 +0.152 C ATOM 11 C LIG 1 -1.828 -2.073 -3.366 0.00 0.00 +0.251 A ATOM 12 O LIG 1 -2.283 -2.623 -4.364 0.00 0.00 -0.268 OA ATOM 13 C LIG 1 -0.794 -2.773 -2.562 0.00 0.00 +0.071 A ATOM 14 C LIG 1 -0.274 -2.192 -1.473 0.00 0.00 +0.018 A ENDBRANCH 3 7 BRANCH 1 15 ATOM 15 N LIG 1 2.582 -0.535 2.378 0.00 0.00 -0.188 N ATOM 16 H LIG 1 2.807 0.014 3.204 0.00 0.00 +0.176 HD BRANCH 15 17 ATOM 17 S LIG 1 2.775 -2.162 2.651 0.00 0.00 +0.045 S ATOM 18 O LIG 1 3.782 -2.263 3.687 0.00 0.00 -0.155 OA ATOM 19 O LIG 1 1.479 -2.776 2.843 0.00 0.00 -0.155 OA BRANCH 17 20 ATOM 20 C LIG 1 3.491 -2.778 1.128 0.00 0.00 +0.188 C BRANCH 20 22 ATOM 21 C LIG 1 5.075 -0.901 0.421 0.00 0.00 +0.005 C ATOM 22 C LIG 1 4.929 -2.348 0.863 0.00 0.00 +0.021 C ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 15 17 ENDBRANCH 1 15 BRANCH 5 23 ATOM 23 O LIG 1 -0.655 2.658 2.185 0.00 0.00 -0.419 OA BRANCH 23 24 ATOM 24 C LIG 1 -1.856 3.064 1.657 0.00 0.00 +0.185 A ATOM 25 C LIG 1 -1.909 4.037 0.658 0.00 0.00 +0.086 A ATOM 26 CL LIG 1 -0.473 4.741 0.013 0.00 0.00 -0.080 Cl ATOM 27 C LIG 1 -3.146 4.452 0.154 0.00 0.00 +0.024 A ATOM 28 C LIG 1 -4.329 3.903 0.656 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -4.276 2.941 1.665 0.00 0.00 +0.042 A ATOM 30 C LIG 1 -3.042 2.533 2.162 0.00 0.00 +0.167 A ATOM 31 F LIG 1 -3.005 1.613 3.136 0.00 0.00 -0.202 F ENDBRANCH 23 24 ENDBRANCH 5 23 TORSDOF 7