REMARK Name = BDB009958 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.980 -0.373 0.857 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.867 -1.196 0.706 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.603 -2.179 1.645 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.510 -2.893 1.331 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -0.971 -2.368 0.212 0.00 0.00 +0.144 A ATOM 6 N LIG 1 1.350 -2.409 2.736 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 2.386 -1.554 2.820 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.188 -1.290 -0.178 0.00 0.00 -0.315 N ATOM 9 N LIG 1 2.728 -0.576 1.958 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.176 -2.835 -0.470 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.110 -3.410 -1.743 0.00 0.00 +0.050 A ATOM 12 C LIG 1 -3.277 -3.842 -2.363 0.00 0.00 +0.124 A ATOM 13 F LIG 1 -3.208 -4.379 -3.588 0.00 0.00 -0.205 F ATOM 14 C LIG 1 -4.513 -3.724 -1.738 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -4.585 -3.172 -0.461 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -3.419 -2.735 0.173 0.00 0.00 +0.012 A ENDBRANCH 5 10 BRANCH 1 17 ATOM 17 N LIG 1 2.321 0.609 -0.073 0.00 0.00 -0.324 N ATOM 18 H LIG 1 2.463 0.160 -0.974 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 3.079 2.538 1.260 0.00 0.00 +0.028 C ATOM 20 C LIG 1 3.476 1.454 0.255 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 3.922 2.102 -1.037 0.00 0.00 +0.009 C ATOM 22 C LIG 1 5.365 2.494 -1.240 0.00 0.00 +0.005 C ATOM 23 C LIG 1 4.787 1.341 -2.014 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 7 24 ATOM 24 C LIG 1 3.257 -1.749 4.032 0.00 0.00 +0.375 C ATOM 25 O LIG 1 4.252 -1.101 4.308 0.00 0.00 -0.242 OA BRANCH 24 26 ATOM 26 O LIG 1 2.792 -2.768 4.809 0.00 0.00 -0.475 OA ATOM 27 H LIG 1 1.981 -3.159 4.407 0.00 0.00 +0.296 HD ENDBRANCH 24 26 ENDBRANCH 7 24 BRANCH 8 28 ATOM 28 C LIG 1 -0.490 -0.382 -1.277 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 C LIG 1 -1.521 0.651 -0.891 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -1.191 1.708 -0.031 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -2.149 2.658 0.332 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -3.461 2.570 -0.154 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -3.787 1.523 -1.027 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -2.828 0.574 -1.391 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -4.492 3.606 0.220 0.00 0.00 +0.417 C ATOM 36 F LIG 1 -5.757 3.102 0.273 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -4.537 4.635 -0.669 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -4.267 4.172 1.438 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 9