REMARK Name = BDB057528 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.860 0.503 -0.111 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.954 1.851 0.635 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -1.363 2.874 0.312 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -2.725 1.812 1.751 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -3.212 0.961 1.875 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.179 -0.179 -0.299 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.392 -0.729 0.539 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.301 0.590 -0.675 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -5.478 0.617 0.116 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -6.578 1.406 -0.255 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -6.539 2.145 -1.435 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -5.404 2.104 -2.238 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -4.298 1.336 -1.860 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -5.509 -0.117 1.409 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -4.471 -0.170 2.073 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.735 -0.789 1.904 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -6.952 -0.848 3.285 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -8.088 -1.485 3.787 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -9.001 -2.074 2.911 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.777 -2.034 1.535 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.642 -1.397 1.028 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 22 ATOM 22 C LIG 1 -1.085 0.604 -1.438 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 3.151 -0.112 -0.893 0.00 0.00 +0.121 A ATOM 24 C LIG 1 2.644 1.185 -0.823 0.00 0.00 +0.046 A ATOM 25 C LIG 1 1.277 1.418 -1.007 0.00 0.00 +0.007 A ATOM 26 C LIG 1 0.399 0.358 -1.264 0.00 0.00 -0.045 A ATOM 27 C LIG 1 0.912 -0.943 -1.331 0.00 0.00 +0.007 A ATOM 28 C LIG 1 2.278 -1.171 -1.149 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 4.459 -0.477 -0.735 0.00 0.00 -0.487 OA BRANCH 29 30 ATOM 30 C LIG 1 5.393 0.562 -0.446 0.00 0.00 +0.264 C BRANCH 30 34 ATOM 31 C LIG 1 9.371 -1.127 -0.182 0.00 0.00 +0.008 A ATOM 32 C LIG 1 8.591 -1.328 -1.323 0.00 0.00 +0.015 A ATOM 33 C LIG 1 7.306 -0.784 -1.406 0.00 0.00 +0.008 A ATOM 34 C LIG 1 6.775 -0.041 -0.342 0.00 0.00 -0.010 A ATOM 35 C LIG 1 7.556 0.147 0.805 0.00 0.00 +0.008 A ATOM 36 C LIG 1 8.841 -0.398 0.886 0.00 0.00 +0.015 A BRANCH 31 38 ATOM 37 C LIG 1 11.785 -1.112 -1.511 0.00 0.00 +0.090 C ATOM 38 S LIG 1 11.011 -1.815 -0.031 0.00 0.00 -0.129 S ENDBRANCH 31 38 ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 12