REMARK Name = BDB035646 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.391 -0.299 0.704 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.677 -0.675 1.106 0.00 0.00 +0.251 C ATOM 3 O LIG 1 2.068 -1.254 2.104 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.600 -0.230 0.055 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.974 -0.380 -0.007 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.645 0.103 -1.141 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.900 0.755 -2.155 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.500 0.906 -2.075 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.867 0.393 -0.947 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.419 0.400 -0.575 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.267 -0.319 1.566 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.047 -0.081 0.900 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -0.823 -0.553 1.400 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -0.849 -1.280 2.594 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.051 -1.537 3.261 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.255 -1.062 2.751 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.584 0.220 1.013 0.00 0.00 +0.089 C BRANCH 17 20 ATOM 18 C LIG 1 -4.814 2.431 3.201 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -4.627 2.652 1.793 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.522 1.708 0.801 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -4.329 2.334 -0.345 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -4.319 3.686 -0.104 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -4.497 3.861 1.183 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -4.969 -0.539 -0.275 0.00 0.00 +0.050 C BRANCH 24 25 ATOM 25 C LIG 1 -6.377 -0.237 -0.810 0.00 0.00 +0.145 C ATOM 26 O LIG 1 -6.528 -0.974 -2.045 0.00 0.00 -0.372 OA ATOM 27 C LIG 1 -7.818 -0.716 -2.619 0.00 0.00 +0.188 C ATOM 28 C LIG 1 -8.918 -1.136 -1.649 0.00 0.00 +0.188 C ATOM 29 O LIG 1 -8.789 -0.429 -0.408 0.00 0.00 -0.375 OA ATOM 30 C LIG 1 -7.491 -0.655 0.162 0.00 0.00 +0.191 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 1.715 1.588 -3.164 0.00 0.00 +0.418 C ATOM 32 F LIG 1 1.022 2.663 -2.703 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.792 0.762 -3.729 0.00 0.00 -0.166 F ATOM 34 F LIG 1 2.486 2.049 -4.185 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 6.155 0.013 -1.268 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.690 -1.198 -0.644 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 6.334 -2.009 -1.151 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 8.158 -1.182 -0.508 0.00 0.00 +0.017 C ATOM 39 C LIG 1 8.537 -2.403 0.383 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.401 -1.496 1.622 0.00 0.00 +0.004 C ATOM 41 C LIG 1 8.573 -0.283 0.689 0.00 0.00 +0.022 C ATOM 42 C LIG 1 8.922 -1.074 -1.809 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9