REMARK Name = BDB064484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.999 0.314 2.795 0.00 0.00 +0.028 C ATOM 2 C LIG 1 2.129 0.350 2.076 0.00 0.00 +0.079 C ATOM 3 C LIG 1 3.477 0.418 2.712 0.00 0.00 +0.276 C ATOM 4 O LIG 1 3.647 0.454 3.921 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 4.483 0.431 1.773 0.00 0.00 -0.154 NA ATOM 6 C LIG 1 4.057 0.380 0.558 0.00 0.00 +0.156 C ATOM 7 S LIG 1 2.309 0.305 0.370 0.00 0.00 -0.051 S ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -2.965 0.043 1.219 0.00 0.00 +0.162 A ATOM 9 C LIG 1 -2.225 1.231 1.048 0.00 0.00 +0.162 A ATOM 10 C LIG 1 -0.926 1.318 1.564 0.00 0.00 +0.057 A ATOM 11 C LIG 1 -0.359 0.235 2.247 0.00 0.00 -0.020 A ATOM 12 C LIG 1 -1.102 -0.932 2.427 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -2.399 -1.030 1.915 0.00 0.00 +0.050 A BRANCH 9 14 ATOM 14 O LIG 1 -2.854 2.236 0.356 0.00 0.00 -0.491 OA ATOM 15 C LIG 1 -2.190 3.488 0.263 0.00 0.00 +0.277 C ENDBRANCH 9 14 BRANCH 8 16 ATOM 16 O LIG 1 -4.231 0.042 0.688 0.00 0.00 -0.484 OA BRANCH 16 17 ATOM 17 C LIG 1 -4.938 -1.196 0.657 0.00 0.00 +0.264 C BRANCH 17 20 ATOM 18 C LIG 1 -8.518 -1.817 -0.520 0.00 0.00 +0.120 A ATOM 19 C LIG 1 -7.313 -1.902 0.184 0.00 0.00 +0.052 A ATOM 20 C LIG 1 -6.239 -1.044 -0.101 0.00 0.00 -0.007 A ATOM 21 C LIG 1 -6.388 -0.107 -1.131 0.00 0.00 +0.007 A ATOM 22 C LIG 1 -7.588 -0.016 -1.837 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -8.652 -0.868 -1.532 0.00 0.00 +0.045 A BRANCH 18 25 ATOM 24 C LIG 1 -10.728 -2.649 -0.792 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -9.473 -2.714 -0.126 0.00 0.00 -0.495 OA ENDBRANCH 18 25 ENDBRANCH 17 20 ENDBRANCH 16 17 ENDBRANCH 8 16 ENDBRANCH 1 11 BRANCH 6 26 ATOM 26 N LIG 1 4.744 0.367 -0.620 0.00 0.00 -0.296 N ATOM 27 H LIG 1 4.170 0.310 -1.451 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 6.124 0.483 -0.852 0.00 0.00 +0.033 A ATOM 29 C LIG 1 7.068 0.724 0.156 0.00 0.00 +0.025 A ATOM 30 C LIG 1 8.434 0.811 -0.134 0.00 0.00 +0.030 A ATOM 31 C LIG 1 8.873 0.637 -1.446 0.00 0.00 +0.105 A ATOM 32 C LIG 1 7.959 0.398 -2.470 0.00 0.00 +0.030 A ATOM 33 C LIG 1 6.596 0.319 -2.167 0.00 0.00 +0.025 A BRANCH 31 34 ATOM 34 S LIG 1 10.606 0.750 -1.803 0.00 0.00 +0.056 S ATOM 35 O LIG 1 11.180 1.764 -0.953 0.00 0.00 -0.153 OA ATOM 36 O LIG 1 10.779 0.745 -3.238 0.00 0.00 -0.153 OA BRANCH 34 37 ATOM 37 N LIG 1 11.159 -0.752 -1.280 0.00 0.00 -0.204 NA ATOM 38 H LIG 1 11.515 -1.272 -2.084 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 10.463 -1.282 -0.758 0.00 0.00 +0.144 HD ENDBRANCH 34 37 ENDBRANCH 31 34 ENDBRANCH 26 28 ENDBRANCH 6 26 TORSDOF 10