REMARK Name = BDB046696 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.424 1.204 -1.614 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 1.689 1.669 -1.145 0.00 0.00 -0.492 OA BRANCH 2 9 ATOM 3 C LIG 1 7.356 0.258 0.029 0.00 0.00 +0.206 C ATOM 4 O LIG 1 6.182 1.097 -0.033 0.00 0.00 -0.474 OA ATOM 5 C LIG 1 4.984 0.468 -0.227 0.00 0.00 +0.129 A ATOM 6 C LIG 1 4.794 -0.903 -0.061 0.00 0.00 -0.005 A ATOM 7 C LIG 1 3.523 -1.444 -0.290 0.00 0.00 +0.011 A ATOM 8 C LIG 1 2.453 -0.622 -0.658 0.00 0.00 +0.046 A ATOM 9 C LIG 1 2.643 0.751 -0.807 0.00 0.00 +0.124 A ATOM 10 C LIG 1 5.930 -1.795 0.335 0.00 0.00 +0.043 C ATOM 11 C LIG 1 3.912 1.288 -0.581 0.00 0.00 +0.091 A ATOM 12 C LIG 1 7.086 -0.979 0.900 0.00 0.00 +0.064 C BRANCH 3 14 ATOM 13 C LIG 1 9.780 0.522 0.964 0.00 0.00 +0.008 C ATOM 14 C LIG 1 8.436 1.171 0.661 0.00 0.00 +0.056 C ENDBRANCH 3 14 BRANCH 3 15 ATOM 15 C LIG 1 7.803 -0.088 -1.406 0.00 0.00 +0.349 C ATOM 16 O LIG 1 7.556 0.532 -2.428 0.00 0.00 -0.246 OA BRANCH 15 17 ATOM 17 O LIG 1 8.586 -1.188 -1.484 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 8.789 -1.249 -2.442 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 3 15 ENDBRANCH 2 9 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -0.557 1.054 -0.459 0.00 0.00 +0.082 C BRANCH 19 20 ATOM 20 C LIG 1 -1.934 0.627 -0.951 0.00 0.00 +0.232 C BRANCH 20 21 ATOM 21 O LIG 1 -2.780 0.478 0.188 0.00 0.00 -0.489 OA BRANCH 21 22 ATOM 22 C LIG 1 -4.073 0.088 -0.031 0.00 0.00 +0.156 A ATOM 23 C LIG 1 -4.860 -0.077 1.116 0.00 0.00 +0.168 A ATOM 24 F LIG 1 -4.329 0.136 2.330 0.00 0.00 -0.202 F ATOM 25 C LIG 1 -6.193 -0.469 1.036 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -6.764 -0.686 -0.216 0.00 0.00 +0.131 A ATOM 27 C LIG 1 -5.990 -0.548 -1.369 0.00 0.00 +0.050 A ATOM 28 C LIG 1 -4.649 -0.154 -1.280 0.00 0.00 +0.052 A BRANCH 26 29 ATOM 29 O LIG 1 -8.062 -1.110 -0.388 0.00 0.00 -0.456 OA BRANCH 29 30 ATOM 30 C LIG 1 -9.032 -0.501 0.373 0.00 0.00 +0.128 A ATOM 31 C LIG 1 -9.940 -1.331 1.032 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -10.966 -0.771 1.793 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -11.092 0.616 1.881 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -10.198 1.445 1.203 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -9.170 0.888 0.440 0.00 0.00 +0.046 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11