REMARK Name = BDB048718 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.237 0.857 -1.283 0.00 0.00 +0.117 C ENDROOT BRANCH 1 8 ATOM 2 C LIG 1 -1.690 8.140 -0.153 0.00 0.00 +0.086 C ATOM 3 C LIG 1 -1.968 6.700 -0.321 0.00 0.00 +0.103 A ATOM 4 O LIG 1 -1.507 5.878 0.664 0.00 0.00 -0.460 OA ATOM 5 C LIG 1 -1.862 4.609 0.322 0.00 0.00 +0.135 A ATOM 6 C LIG 1 -2.556 4.608 -0.879 0.00 0.00 +0.021 A ATOM 7 C LIG 1 -3.007 3.378 -1.392 0.00 0.00 +0.016 A ATOM 8 C LIG 1 -2.736 2.178 -0.691 0.00 0.00 -0.028 A ATOM 9 C LIG 1 -2.033 2.249 0.529 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -1.580 3.465 1.059 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -2.622 5.966 -1.288 0.00 0.00 +0.053 A ENDBRANCH 1 8 BRANCH 1 12 ATOM 12 C LIG 1 -2.724 0.609 -2.691 0.00 0.00 -0.007 C ATOM 13 C LIG 1 -1.459 0.412 -3.109 0.00 0.00 +0.011 C BRANCH 13 14 ATOM 14 C LIG 1 -0.214 0.378 -2.272 0.00 0.00 +0.256 C BRANCH 14 15 ATOM 15 O LIG 1 0.396 -0.895 -2.480 0.00 0.00 -0.488 OA BRANCH 15 16 ATOM 16 C LIG 1 1.406 -1.242 -1.627 0.00 0.00 +0.121 A ATOM 17 C LIG 1 2.059 -0.389 -0.738 0.00 0.00 +0.052 A ATOM 18 C LIG 1 3.074 -0.876 0.106 0.00 0.00 -0.005 A ATOM 19 C LIG 1 3.756 0.061 1.066 0.00 0.00 +0.047 C ATOM 20 C LIG 1 3.443 -2.232 0.046 0.00 0.00 +0.124 A ATOM 21 C LIG 1 2.795 -3.079 -0.856 0.00 0.00 +0.049 A ATOM 22 C LIG 1 1.786 -2.583 -1.687 0.00 0.00 +0.049 A BRANCH 20 23 ATOM 23 O LIG 1 4.439 -2.613 0.905 0.00 0.00 -0.481 OA BRANCH 23 24 ATOM 24 C LIG 1 4.871 -3.966 0.852 0.00 0.00 +0.349 C BRANCH 24 25 ATOM 25 C LIG 1 5.994 -4.216 1.840 0.00 0.00 +0.343 C ATOM 26 O LIG 1 6.936 -4.976 1.669 0.00 0.00 -0.247 OA BRANCH 25 27 ATOM 27 O LIG 1 5.857 -3.565 3.012 0.00 0.00 -0.478 OA ATOM 28 H LIG 1 6.643 -3.830 3.532 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 1 12 BRANCH 1 29 ATOM 29 C LIG 1 -2.991 -0.349 -0.466 0.00 0.00 -0.085 C ATOM 30 C LIG 1 -2.752 -1.334 0.181 0.00 0.00 -0.065 C BRANCH 30 31 ATOM 31 C LIG 1 -2.419 -2.500 0.938 0.00 0.00 +0.025 A ATOM 32 C LIG 1 -1.076 -2.814 1.176 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -0.744 -3.955 1.907 0.00 0.00 +0.039 A ATOM 34 C LIG 1 -1.758 -4.773 2.393 0.00 0.00 +0.123 A ATOM 35 F LIG 1 -1.439 -5.871 3.092 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -3.097 -4.470 2.166 0.00 0.00 +0.039 A ATOM 37 C LIG 1 -3.430 -3.328 1.434 0.00 0.00 +0.019 A ENDBRANCH 30 31 ENDBRANCH 1 29 TORSDOF 11