REMARK Name = BDB057007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.398 -1.931 -1.518 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -0.367 -1.168 -0.525 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -0.808 -1.699 0.658 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -0.036 -2.302 1.417 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 0.098 0.206 -0.598 0.00 0.00 +0.140 C ATOM 6 C LIG 1 0.339 0.417 -2.101 0.00 0.00 +0.134 C ATOM 7 C LIG 1 0.287 -0.990 -2.723 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 2.181 -2.606 0.064 0.00 0.00 -0.310 N ATOM 9 H LIG 1 1.452 -2.499 0.766 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 1.896 -2.235 -1.225 0.00 0.00 +0.234 C ATOM 11 O LIG 1 2.746 -2.267 -2.112 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 3.534 -2.769 0.538 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 5.206 1.082 1.608 0.00 0.00 -0.010 A ATOM 14 C LIG 1 5.495 0.496 0.369 0.00 0.00 +0.009 A ATOM 15 C LIG 1 4.956 -0.747 0.028 0.00 0.00 +0.006 A ATOM 16 C LIG 1 4.129 -1.437 0.925 0.00 0.00 -0.030 A ATOM 17 C LIG 1 3.821 -0.842 2.158 0.00 0.00 +0.006 A ATOM 18 C LIG 1 4.358 0.406 2.497 0.00 0.00 +0.009 A BRANCH 13 21 ATOM 19 C LIG 1 8.316 1.864 1.967 0.00 0.00 +0.067 C ATOM 20 C LIG 1 7.121 2.746 2.106 0.00 0.00 +0.053 A ATOM 21 C LIG 1 5.788 2.376 1.961 0.00 0.00 +0.042 A ATOM 22 S LIG 1 4.773 3.740 2.238 0.00 0.00 -0.075 S ATOM 23 C LIG 1 6.167 4.698 2.513 0.00 0.00 +0.156 A ATOM 24 N LIG 1 7.326 4.084 2.421 0.00 0.00 -0.252 NA ENDBRANCH 13 21 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 O LIG 1 -0.686 1.221 -2.675 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 -1.544 0.847 -2.366 0.00 0.00 +0.210 HD ENDBRANCH 6 25 BRANCH 3 27 ATOM 27 C LIG 1 -2.349 -1.690 0.926 0.00 0.00 +0.164 C BRANCH 27 28 ATOM 28 C LIG 1 -3.154 -2.836 0.209 0.00 0.00 -0.011 C ATOM 29 C LIG 1 -2.410 -4.186 0.368 0.00 0.00 +0.013 C ATOM 30 C LIG 1 -4.538 -2.994 0.890 0.00 0.00 +0.013 C ATOM 31 C LIG 1 -3.392 -2.600 -1.291 0.00 0.00 +0.013 C ENDBRANCH 27 28 BRANCH 27 32 ATOM 32 N LIG 1 -3.011 -0.374 0.961 0.00 0.00 -0.303 N ATOM 33 H LIG 1 -3.468 -0.153 1.838 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 -3.285 0.468 -0.096 0.00 0.00 +0.214 C ATOM 35 O LIG 1 -2.857 0.317 -1.231 0.00 0.00 -0.276 OA BRANCH 34 36 ATOM 36 C LIG 1 -4.160 1.639 0.344 0.00 0.00 +0.102 C BRANCH 36 37 ATOM 37 C LIG 1 -4.567 2.688 -0.717 0.00 0.00 -0.029 C ATOM 38 C LIG 1 -5.348 2.051 -1.878 0.00 0.00 +0.011 C ATOM 39 C LIG 1 -3.346 3.446 -1.257 0.00 0.00 +0.011 C ATOM 40 C LIG 1 -5.491 3.714 -0.027 0.00 0.00 +0.011 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 27 32 ENDBRANCH 3 27 TORSDOF 10