REMARK Name = BDB055506 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.016 -0.208 -2.278 0.00 0.00 +0.091 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 1.316 0.729 0.328 0.00 0.00 +0.121 A ATOM 3 C LIG 1 0.145 1.488 0.370 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -0.929 1.192 -0.472 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.853 0.117 -1.365 0.00 0.00 -0.043 A ATOM 6 C LIG 1 0.330 -0.631 -1.419 0.00 0.00 +0.007 A ATOM 7 C LIG 1 1.406 -0.330 -0.575 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 2.285 1.123 1.207 0.00 0.00 -0.490 OA BRANCH 8 9 ATOM 9 C LIG 1 3.516 0.393 1.189 0.00 0.00 +0.248 C BRANCH 9 10 ATOM 10 C LIG 1 4.461 1.012 2.226 0.00 0.00 +0.150 C BRANCH 10 12 ATOM 11 C LIG 1 5.592 -0.926 3.324 0.00 0.00 +0.134 C ATOM 12 N LIG 1 5.674 0.219 2.437 0.00 0.00 -0.285 N BRANCH 12 13 ATOM 13 C LIG 1 6.614 0.238 1.463 0.00 0.00 +0.291 A ATOM 14 O LIG 1 7.635 -0.675 1.552 0.00 0.00 -0.424 OA ATOM 15 C LIG 1 8.406 -0.421 0.458 0.00 0.00 +0.157 A ATOM 16 C LIG 1 7.818 0.621 -0.238 0.00 0.00 +0.111 A ATOM 17 C LIG 1 8.423 1.075 -1.417 0.00 0.00 +0.031 A ATOM 18 C LIG 1 9.605 0.447 -1.838 0.00 0.00 +0.002 A ATOM 19 C LIG 1 10.168 -0.606 -1.103 0.00 0.00 +0.004 A ATOM 20 C LIG 1 9.573 -1.070 0.077 0.00 0.00 +0.048 A ATOM 21 N LIG 1 6.681 1.026 0.409 0.00 0.00 -0.195 NA ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 C LIG 1 -2.618 -1.614 -2.065 0.00 0.00 +0.285 C BRANCH 22 23 ATOM 23 C LIG 1 -3.158 -2.049 -3.422 0.00 0.00 +0.346 C ATOM 24 O LIG 1 -2.524 -2.737 -4.212 0.00 0.00 -0.247 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.388 -1.558 -3.715 0.00 0.00 -0.478 OA ATOM 26 H LIG 1 -4.767 -1.006 -2.979 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 O LIG 1 -3.769 -1.716 -1.207 0.00 0.00 -0.477 OA BRANCH 27 28 ATOM 28 C LIG 1 -3.697 -1.078 -0.005 0.00 0.00 +0.133 A ATOM 29 C LIG 1 -4.675 -0.118 0.295 0.00 0.00 +0.064 A ATOM 30 C LIG 1 -4.630 0.550 1.526 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -3.648 0.218 2.463 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -2.711 -0.775 2.175 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -2.737 -1.430 0.943 0.00 0.00 +0.046 A BRANCH 29 34 ATOM 34 C LIG 1 -5.710 0.217 -0.723 0.00 0.00 +0.197 C ATOM 35 O LIG 1 -5.417 0.203 -1.920 0.00 0.00 -0.287 OA BRANCH 34 36 ATOM 36 C LIG 1 -7.097 0.565 -0.327 0.00 0.00 +0.022 A ATOM 37 C LIG 1 -7.792 1.512 -1.089 0.00 0.00 +0.012 A ATOM 38 C LIG 1 -9.102 1.855 -0.751 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -9.724 1.244 0.338 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -9.042 0.283 1.085 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -7.731 -0.063 0.752 0.00 0.00 +0.012 A ENDBRANCH 34 36 ENDBRANCH 29 34 ENDBRANCH 27 28 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 13