REMARK Name = BDB010470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.536 0.751 1.687 0.00 0.00 -0.296 NA ATOM 2 C LIG 1 0.924 2.083 1.826 0.00 0.00 +0.104 C ATOM 3 C LIG 1 -0.317 2.095 0.908 0.00 0.00 +0.079 C ATOM 4 C LIG 1 -0.829 0.639 1.071 0.00 0.00 +0.053 C ATOM 5 C LIG 1 0.380 -0.159 1.609 0.00 0.00 +0.094 C ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -1.417 0.002 -0.168 0.00 0.00 -0.016 A ATOM 7 C LIG 1 -2.453 -0.993 -0.177 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.707 -1.335 -1.508 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -3.674 -2.289 -1.864 0.00 0.00 +0.026 A ATOM 10 C LIG 1 -4.395 -2.908 -0.840 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -4.162 -2.588 0.493 0.00 0.00 +0.001 A ATOM 12 N LIG 1 -1.857 -0.578 -2.282 0.00 0.00 -0.349 N ATOM 13 C LIG 1 -1.791 -0.623 -3.726 0.00 0.00 +0.149 C ATOM 14 C LIG 1 -3.196 -1.635 0.836 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -1.076 0.221 -1.491 0.00 0.00 +0.090 A ENDBRANCH 4 6 BRANCH 3 16 ATOM 16 N LIG 1 -1.298 3.157 1.254 0.00 0.00 -0.304 NA ATOM 17 C LIG 1 -0.710 4.494 1.126 0.00 0.00 +0.104 C ATOM 18 C LIG 1 -2.503 3.078 0.422 0.00 0.00 +0.104 C ENDBRANCH 3 16 BRANCH 1 19 ATOM 19 C LIG 1 2.404 0.668 0.500 0.00 0.00 +0.122 C BRANCH 19 22 ATOM 20 C LIG 1 2.165 -1.670 -1.463 0.00 0.00 +0.044 C ATOM 21 C LIG 1 3.210 -1.621 -0.382 0.00 0.00 -0.043 A ATOM 22 C LIG 1 3.321 -0.539 0.520 0.00 0.00 +0.005 A ATOM 23 C LIG 1 4.348 -0.575 1.479 0.00 0.00 +0.128 A ATOM 24 F LIG 1 4.520 0.459 2.318 0.00 0.00 -0.205 F ATOM 25 C LIG 1 5.226 -1.649 1.580 0.00 0.00 +0.039 A ATOM 26 C LIG 1 5.098 -2.724 0.709 0.00 0.00 +0.003 A ATOM 27 C LIG 1 4.099 -2.708 -0.265 0.00 0.00 +0.004 A ENDBRANCH 19 22 ENDBRANCH 1 19 TORSDOF 4