REMARK Name = BDB056257 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.386 2.467 1.578 0.00 0.00 +0.113 A ATOM 2 C LIG 1 -0.540 3.237 0.785 0.00 0.00 +0.174 A ATOM 3 F LIG 1 -1.040 4.103 -0.107 0.00 0.00 -0.202 F ATOM 4 C LIG 1 0.838 3.095 0.905 0.00 0.00 +0.174 A ATOM 5 F LIG 1 1.645 3.817 0.115 0.00 0.00 -0.202 F ATOM 6 C LIG 1 1.365 2.181 1.814 0.00 0.00 +0.113 A ATOM 7 C LIG 1 0.517 1.422 2.616 0.00 0.00 +0.174 A ATOM 8 F LIG 1 1.015 0.537 3.491 0.00 0.00 -0.202 F ATOM 9 C LIG 1 -0.861 1.566 2.498 0.00 0.00 +0.174 A ATOM 10 F LIG 1 -1.670 0.812 3.256 0.00 0.00 -0.202 F ENDROOT BRANCH 1 12 ATOM 11 O LIG 1 -3.324 3.448 2.286 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -2.830 2.654 1.490 0.00 0.00 +0.252 C ATOM 13 N LIG 1 -3.544 1.948 0.521 0.00 0.00 -0.297 N ATOM 14 C LIG 1 -5.003 2.014 0.609 0.00 0.00 +0.109 C ATOM 15 C LIG 1 -5.670 1.795 -0.745 0.00 0.00 +0.038 C ATOM 16 C LIG 1 -5.219 0.481 -1.417 0.00 0.00 +0.060 C ATOM 17 C LIG 1 -3.683 0.584 -1.550 0.00 0.00 +0.038 C ATOM 18 C LIG 1 -3.003 0.792 -0.198 0.00 0.00 +0.109 C BRANCH 16 19 ATOM 19 N LIG 1 -5.591 -0.761 -0.692 0.00 0.00 -0.299 NA ATOM 20 C LIG 1 -5.435 -1.964 -1.538 0.00 0.00 +0.085 C ATOM 21 C LIG 1 -6.745 -2.124 -2.302 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -7.758 -1.296 -1.527 0.00 0.00 +0.017 C ATOM 23 C LIG 1 -7.005 -0.847 -0.287 0.00 0.00 +0.085 C ENDBRANCH 16 19 ENDBRANCH 1 12 BRANCH 6 24 ATOM 24 C LIG 1 2.815 2.076 1.972 0.00 0.00 +0.252 C ATOM 25 N LIG 1 3.461 0.933 1.509 0.00 0.00 -0.297 N ATOM 26 C LIG 1 2.813 -0.151 0.769 0.00 0.00 +0.109 C ATOM 27 C LIG 1 3.801 -0.898 -0.121 0.00 0.00 +0.038 C ATOM 28 C LIG 1 4.939 -1.520 0.714 0.00 0.00 +0.060 C ATOM 29 C LIG 1 5.312 -0.646 1.932 0.00 0.00 +0.038 C ATOM 30 C LIG 1 4.898 0.809 1.755 0.00 0.00 +0.109 C ATOM 31 O LIG 1 3.378 3.016 2.525 0.00 0.00 -0.270 OA BRANCH 28 32 ATOM 32 N LIG 1 6.126 -1.934 -0.048 0.00 0.00 -0.299 NA ATOM 33 C LIG 1 5.876 -2.908 -1.107 0.00 0.00 +0.085 C ATOM 34 C LIG 1 7.237 -3.011 -1.774 0.00 0.00 +0.017 C ATOM 35 C LIG 1 7.865 -1.634 -1.595 0.00 0.00 +0.017 C ATOM 36 C LIG 1 6.924 -0.875 -0.664 0.00 0.00 +0.085 C ENDBRANCH 28 32 ENDBRANCH 6 24 TORSDOF 4