REMARK Name = BDB058740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.334 0.161 2.217 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.915 -1.218 1.886 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.916 -1.554 0.903 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -2.110 -2.933 0.951 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -3.014 -3.608 0.120 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -3.744 -2.845 -0.794 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.584 -1.468 -0.871 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -4.864 -3.630 -1.842 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -1.280 -3.424 1.922 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -1.201 -4.398 2.189 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -2.676 -0.815 -0.028 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -0.532 -2.419 2.490 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 0.452 -2.665 3.510 0.00 0.00 +0.354 C ATOM 14 O LIG 1 1.198 -1.863 4.043 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 0.488 -3.972 3.840 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 1.196 -4.006 4.519 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 C LIG 1 0.946 0.433 1.368 0.00 0.00 +0.238 C ATOM 18 N LIG 1 0.907 0.050 0.040 0.00 0.00 -0.313 N ATOM 19 H LIG 1 0.107 -0.464 -0.311 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 1.904 1.060 1.826 0.00 0.00 -0.273 OA BRANCH 18 21 ATOM 21 C LIG 1 2.044 0.225 -0.843 0.00 0.00 +0.109 C BRANCH 21 22 ATOM 22 C LIG 1 3.054 -0.914 -0.694 0.00 0.00 +0.054 C BRANCH 22 23 ATOM 23 C LIG 1 4.213 -0.766 -1.645 0.00 0.00 -0.046 A ATOM 24 C LIG 1 4.111 -1.215 -2.969 0.00 0.00 +0.004 A ATOM 25 C LIG 1 5.184 -1.066 -3.850 0.00 0.00 +0.000 A ATOM 26 C LIG 1 6.366 -0.466 -3.418 0.00 0.00 +0.000 A ATOM 27 C LIG 1 6.474 -0.010 -2.106 0.00 0.00 +0.000 A ATOM 28 C LIG 1 5.402 -0.155 -1.224 0.00 0.00 +0.004 A ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 1 17 BRANCH 1 31 ATOM 29 O LIG 1 -3.287 1.933 3.316 0.00 0.00 -0.279 OA ATOM 30 C LIG 1 -2.509 1.056 2.957 0.00 0.00 +0.329 C ATOM 31 N LIG 1 -1.353 1.238 2.198 0.00 0.00 -0.288 N BRANCH 31 32 ATOM 32 C LIG 1 -0.909 2.635 2.041 0.00 0.00 +0.113 C BRANCH 32 33 ATOM 33 C LIG 1 -0.675 3.126 0.602 0.00 0.00 +0.054 C BRANCH 33 34 ATOM 34 C LIG 1 -1.812 2.941 -0.377 0.00 0.00 -0.046 A ATOM 35 C LIG 1 -1.531 2.561 -1.699 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -2.562 2.391 -2.626 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.884 2.611 -2.248 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.175 3.014 -0.947 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -3.145 3.187 -0.018 0.00 0.00 +0.004 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 11