REMARK Name = BDB065328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.425 -0.074 -0.175 0.00 0.00 -0.212 N ATOM 2 C LIG 1 0.277 1.089 -0.470 0.00 0.00 +0.168 A ATOM 3 N LIG 1 1.562 0.862 -0.263 0.00 0.00 -0.206 NA ATOM 4 C LIG 1 1.642 -0.481 -0.009 0.00 0.00 +0.186 A ATOM 5 N LIG 1 0.457 -1.103 -0.059 0.00 0.00 -0.144 NA ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -4.512 -0.847 0.563 0.00 0.00 +0.105 A ATOM 7 C LIG 1 -4.039 0.465 0.644 0.00 0.00 +0.030 A ATOM 8 C LIG 1 -2.687 0.733 0.407 0.00 0.00 +0.030 A ATOM 9 C LIG 1 -1.811 -0.307 0.063 0.00 0.00 +0.068 A ATOM 10 C LIG 1 -2.299 -1.625 0.001 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -3.649 -1.894 0.237 0.00 0.00 +0.030 A BRANCH 6 12 ATOM 12 S LIG 1 -6.229 -1.177 0.832 0.00 0.00 +0.056 S ATOM 13 O LIG 1 -6.984 0.032 0.595 0.00 0.00 -0.153 OA ATOM 14 O LIG 1 -6.573 -2.438 0.218 0.00 0.00 -0.153 OA BRANCH 12 15 ATOM 15 N LIG 1 -6.277 -1.438 2.489 0.00 0.00 -0.204 NA ATOM 16 H LIG 1 -6.859 -0.730 2.936 0.00 0.00 +0.144 HD ATOM 17 H LIG 1 -6.573 -2.395 2.681 0.00 0.00 +0.144 HD ENDBRANCH 12 15 ENDBRANCH 6 12 ENDBRANCH 1 9 BRANCH 2 18 ATOM 18 C LIG 1 -0.228 2.384 -0.928 0.00 0.00 +0.061 A ATOM 19 C LIG 1 0.343 3.570 -0.438 0.00 0.00 +0.128 A ATOM 20 C LIG 1 -0.129 4.817 -0.838 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -1.160 4.899 -1.772 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -1.705 3.734 -2.311 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -1.235 2.483 -1.900 0.00 0.00 +0.015 A BRANCH 19 24 ATOM 24 O LIG 1 1.395 3.564 0.443 0.00 0.00 -0.506 OA ATOM 25 H LIG 1 1.805 2.670 0.410 0.00 0.00 +0.292 HD ENDBRANCH 19 24 ENDBRANCH 2 18 BRANCH 4 26 ATOM 26 C LIG 1 2.908 -1.170 0.233 0.00 0.00 +0.062 A ATOM 27 C LIG 1 4.038 -0.516 0.748 0.00 0.00 +0.128 A ATOM 28 C LIG 1 5.238 -1.209 0.953 0.00 0.00 +0.058 A ATOM 29 C LIG 1 5.330 -2.579 0.659 0.00 0.00 +0.058 A ATOM 30 C LIG 1 4.205 -3.237 0.146 0.00 0.00 +0.013 A ATOM 31 C LIG 1 3.010 -2.541 -0.059 0.00 0.00 +0.016 A BRANCH 29 32 ATOM 32 C LIG 1 6.629 -3.320 0.860 0.00 0.00 +0.418 C ATOM 33 F LIG 1 6.454 -4.638 1.155 0.00 0.00 -0.166 F ATOM 34 F LIG 1 7.380 -2.809 1.875 0.00 0.00 -0.166 F ATOM 35 F LIG 1 7.421 -3.283 -0.246 0.00 0.00 -0.166 F ENDBRANCH 29 32 BRANCH 27 36 ATOM 36 O LIG 1 3.983 0.809 1.086 0.00 0.00 -0.506 OA ATOM 37 H LIG 1 4.861 1.119 1.363 0.00 0.00 +0.292 HD ENDBRANCH 27 36 ENDBRANCH 4 26 TORSDOF 8