REMARK Name = BDB007237 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.209 1.202 1.373 0.00 0.00 +0.254 C ATOM 2 O LIG 1 -0.457 1.353 2.582 0.00 0.00 -0.349 OA ATOM 3 C LIG 1 0.930 1.097 2.347 0.00 0.00 +0.187 C ATOM 4 C LIG 1 1.437 1.805 1.076 0.00 0.00 +0.125 C ATOM 5 C LIG 1 0.382 2.821 0.633 0.00 0.00 +0.187 C ATOM 6 O LIG 1 -0.903 2.238 0.436 0.00 0.00 -0.349 OA ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 2.752 2.416 1.249 0.00 0.00 -0.305 N ATOM 8 H LIG 1 2.846 3.417 1.141 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 3.862 1.644 1.492 0.00 0.00 +0.237 C ATOM 10 O LIG 1 3.826 0.429 1.619 0.00 0.00 -0.271 OA BRANCH 9 11 ATOM 11 C LIG 1 5.107 2.444 1.613 0.00 0.00 +0.066 C ATOM 12 C LIG 1 6.350 1.935 1.584 0.00 0.00 +0.022 C BRANCH 12 13 ATOM 13 C LIG 1 6.770 0.505 1.351 0.00 0.00 +0.198 C ATOM 14 C LIG 1 7.062 -0.176 2.686 0.00 0.00 +0.057 C BRANCH 13 15 ATOM 15 O LIG 1 7.982 0.583 0.571 0.00 0.00 -0.443 OA BRANCH 15 16 ATOM 16 C LIG 1 8.343 -0.544 -0.099 0.00 0.00 +0.403 C ATOM 17 N LIG 1 9.529 -0.386 -0.806 0.00 0.00 -0.268 N ATOM 18 C LIG 1 10.287 0.855 -0.788 0.00 0.00 +0.135 C ATOM 19 O LIG 1 7.694 -1.583 -0.067 0.00 0.00 -0.226 OA BRANCH 17 20 ATOM 20 C LIG 1 10.139 -1.522 -1.513 0.00 0.00 +0.073 C ATOM 21 C LIG 1 10.554 -2.646 -0.562 0.00 0.00 +0.028 C ATOM 22 C LIG 1 9.263 -2.041 -2.655 0.00 0.00 +0.028 C ENDBRANCH 17 20 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 9 11 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 C LIG 1 -2.698 1.268 1.742 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 -2.591 0.270 -1.381 0.00 0.00 +0.043 C ATOM 25 C LIG 1 -3.794 0.648 -0.563 0.00 0.00 -0.054 C ATOM 26 C LIG 1 -3.795 1.048 0.725 0.00 0.00 -0.019 C BRANCH 25 27 ATOM 27 C LIG 1 -5.048 0.588 -1.306 0.00 0.00 +0.001 C ATOM 28 C LIG 1 -6.142 -0.073 -0.892 0.00 0.00 +0.004 C BRANCH 28 29 ATOM 29 C LIG 1 -7.436 -0.133 -1.663 0.00 0.00 +0.145 C ATOM 30 O LIG 1 -7.738 -1.508 -1.911 0.00 0.00 -0.366 OA ATOM 31 C LIG 1 -8.772 -2.131 -1.134 0.00 0.00 +0.067 C ATOM 32 C LIG 1 -8.355 -3.605 -1.003 0.00 0.00 +0.041 C ATOM 33 C LIG 1 -10.089 -2.082 -1.922 0.00 0.00 +0.041 C ATOM 34 C LIG 1 -8.914 -1.530 0.276 0.00 0.00 +0.072 C ATOM 35 C LIG 1 -9.074 -0.039 0.233 0.00 0.00 +0.098 C ATOM 36 O LIG 1 -10.367 0.425 0.660 0.00 0.00 -0.368 OA ATOM 37 C LIG 1 -9.268 0.724 1.527 0.00 0.00 +0.195 C ATOM 38 C LIG 1 -8.556 0.665 -0.985 0.00 0.00 +0.073 C ENDBRANCH 28 29 ENDBRANCH 25 27 ENDBRANCH 23 26 ENDBRANCH 1 23 TORSDOF 10