REMARK Name = BDB046437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.537 2.645 -1.601 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -0.179 2.485 -0.379 0.00 0.00 -0.492 OA BRANCH 2 4 ATOM 3 C LIG 1 -1.925 1.583 0.907 0.00 0.00 -0.005 A ATOM 4 C LIG 1 -1.282 1.675 -0.341 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -1.787 0.952 -1.422 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -2.921 0.145 -1.275 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -3.575 0.042 -0.043 0.00 0.00 -0.044 A ATOM 8 C LIG 1 -3.064 0.767 1.042 0.00 0.00 +0.011 A BRANCH 7 9 ATOM 9 C LIG 1 -4.806 -0.826 0.140 0.00 0.00 +0.019 C ATOM 10 C LIG 1 -4.503 -2.312 -0.123 0.00 0.00 +0.014 C ATOM 11 C LIG 1 -5.747 -3.178 0.070 0.00 0.00 +0.076 C ATOM 12 C LIG 1 -6.909 -2.677 -0.770 0.00 0.00 +0.249 C ATOM 13 F LIG 1 -6.622 -2.864 -2.085 0.00 0.00 -0.206 F ATOM 14 F LIG 1 -8.011 -3.421 -0.507 0.00 0.00 -0.206 F ATOM 15 C LIG 1 -7.220 -1.209 -0.532 0.00 0.00 +0.076 C ATOM 16 C LIG 1 -5.981 -0.337 -0.727 0.00 0.00 +0.014 C ENDBRANCH 7 9 BRANCH 3 17 ATOM 17 C LIG 1 -1.427 2.351 2.113 0.00 0.00 +0.038 C BRANCH 17 19 ATOM 18 C LIG 1 -3.291 4.087 2.251 0.00 0.00 +0.004 C ATOM 19 C LIG 1 -1.797 3.837 2.100 0.00 0.00 +0.001 C ENDBRANCH 17 19 ENDBRANCH 3 17 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 1.560 1.534 -1.813 0.00 0.00 +0.082 C BRANCH 20 21 ATOM 21 C LIG 1 2.508 1.389 -0.625 0.00 0.00 +0.232 C BRANCH 21 22 ATOM 22 O LIG 1 3.487 0.407 -0.970 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 4.444 0.126 -0.032 0.00 0.00 +0.121 A ATOM 24 C LIG 1 5.388 -0.829 -0.431 0.00 0.00 +0.057 A ATOM 25 C LIG 1 6.435 -1.229 0.414 0.00 0.00 +0.026 A ATOM 26 C LIG 1 6.505 -0.643 1.687 0.00 0.00 +0.012 A ATOM 27 C LIG 1 5.568 0.309 2.094 0.00 0.00 +0.004 A ATOM 28 C LIG 1 4.538 0.694 1.236 0.00 0.00 +0.046 A BRANCH 25 29 ATOM 29 C LIG 1 7.426 -2.237 0.007 0.00 0.00 +0.200 A ATOM 30 C LIG 1 7.704 -2.765 -1.185 0.00 0.00 +0.240 A ATOM 31 N LIG 1 8.703 -3.641 -1.017 0.00 0.00 -0.259 N ATOM 32 H LIG 1 9.165 -4.218 -1.699 0.00 0.00 +0.175 HD ATOM 33 C LIG 1 9.055 -3.656 0.309 0.00 0.00 +0.421 A ATOM 34 O LIG 1 9.936 -4.349 0.794 0.00 0.00 -0.223 OA ATOM 35 O LIG 1 8.266 -2.768 1.021 0.00 0.00 -0.404 OA BRANCH 30 36 ATOM 36 O LIG 1 7.167 -2.539 -2.401 0.00 0.00 -0.491 OA ATOM 37 H LIG 1 7.641 -3.098 -3.036 0.00 0.00 +0.294 HD ENDBRANCH 30 36 ENDBRANCH 25 29 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 11