REMARK Name = BDB048948 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.138 -2.161 -1.378 0.00 0.00 +0.129 A ATOM 2 C LIG 1 0.609 -0.986 -1.254 0.00 0.00 +0.051 A ATOM 3 C LIG 1 1.617 -0.690 -2.184 0.00 0.00 -0.027 A ATOM 4 C LIG 1 1.886 -1.605 -3.212 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.153 -2.789 -3.317 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.145 -3.070 -2.397 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -1.119 -2.515 -0.479 0.00 0.00 -0.456 OA BRANCH 7 13 ATOM 8 C LIG 1 -4.342 1.010 -1.767 0.00 0.00 +0.047 C ATOM 9 C LIG 1 -3.669 0.165 -0.723 0.00 0.00 -0.005 A ATOM 10 C LIG 1 -4.002 0.270 0.637 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -3.330 -0.491 1.595 0.00 0.00 +0.049 A ATOM 12 C LIG 1 -2.367 -1.418 1.198 0.00 0.00 +0.050 A ATOM 13 C LIG 1 -2.050 -1.556 -0.152 0.00 0.00 +0.129 A ATOM 14 C LIG 1 -2.708 -0.781 -1.112 0.00 0.00 +0.053 A BRANCH 10 15 ATOM 15 O LIG 1 -4.928 1.201 1.016 0.00 0.00 -0.475 OA BRANCH 15 16 ATOM 16 C LIG 1 -6.219 0.710 1.466 0.00 0.00 +0.200 C ATOM 17 C LIG 1 -6.225 0.555 2.989 0.00 0.00 +0.067 C ATOM 18 C LIG 1 -6.724 -0.556 0.763 0.00 0.00 +0.067 C BRANCH 16 19 ATOM 19 C LIG 1 -7.205 1.849 1.128 0.00 0.00 +0.348 C ATOM 20 O LIG 1 -8.416 1.792 1.286 0.00 0.00 -0.247 OA BRANCH 19 21 ATOM 21 O LIG 1 -6.598 2.960 0.637 0.00 0.00 -0.478 OA ATOM 22 H LIG 1 -5.628 2.804 0.594 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 7 13 ENDBRANCH 1 7 BRANCH 3 23 ATOM 23 C LIG 1 2.437 0.563 -2.041 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 N LIG 1 3.564 0.344 -1.169 0.00 0.00 -0.307 N ATOM 25 H LIG 1 3.718 -0.590 -0.804 0.00 0.00 +0.149 HD ATOM 26 C LIG 1 4.435 1.363 -0.864 0.00 0.00 +0.247 C ATOM 27 O LIG 1 4.296 2.501 -1.302 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 5.582 1.047 0.034 0.00 0.00 +0.072 A ATOM 29 C LIG 1 5.813 -0.224 0.561 0.00 0.00 +0.136 A ATOM 30 F LIG 1 4.996 -1.251 0.282 0.00 0.00 -0.205 F ATOM 31 C LIG 1 6.902 -0.471 1.399 0.00 0.00 +0.051 A ATOM 32 C LIG 1 7.796 0.560 1.725 0.00 0.00 +0.058 A ATOM 33 C LIG 1 7.564 1.841 1.204 0.00 0.00 +0.013 A ATOM 34 C LIG 1 6.470 2.082 0.365 0.00 0.00 +0.016 A BRANCH 32 35 ATOM 35 C LIG 1 8.960 0.296 2.649 0.00 0.00 +0.418 C ATOM 36 F LIG 1 8.606 0.389 3.960 0.00 0.00 -0.166 F ATOM 37 F LIG 1 9.992 1.166 2.474 0.00 0.00 -0.166 F ATOM 38 F LIG 1 9.489 -0.948 2.489 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 26 28 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 10