REMARK Name = BDB012274 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.427 1.131 0.295 0.00 0.00 -0.182 N ATOM 2 C LIG 1 -0.299 2.313 0.372 0.00 0.00 +0.217 A ATOM 3 C LIG 1 -1.616 1.956 0.221 0.00 0.00 +0.097 A ATOM 4 C LIG 1 -1.623 0.548 0.057 0.00 0.00 +0.100 A ATOM 5 N LIG 1 -0.379 0.053 0.123 0.00 0.00 -0.162 NA ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -2.785 -0.314 -0.129 0.00 0.00 +0.037 A ATOM 7 C LIG 1 -2.760 -1.391 -1.023 0.00 0.00 +0.133 A ATOM 8 F LIG 1 -1.673 -1.653 -1.765 0.00 0.00 -0.205 F ATOM 9 C LIG 1 -3.876 -2.210 -1.195 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -5.041 -1.961 -0.471 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -5.085 -0.891 0.422 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -3.965 -0.071 0.592 0.00 0.00 +0.013 A ENDBRANCH 4 6 BRANCH 1 15 ATOM 13 C LIG 1 3.822 -0.335 0.379 0.00 0.00 +0.064 A ATOM 14 C LIG 1 2.432 -0.249 0.285 0.00 0.00 +0.063 A ATOM 15 C LIG 1 1.849 1.009 0.387 0.00 0.00 +0.158 A ATOM 16 N LIG 1 2.573 2.155 0.572 0.00 0.00 -0.236 NA ATOM 17 C LIG 1 3.916 2.030 0.657 0.00 0.00 +0.114 A ATOM 18 C LIG 1 4.580 0.822 0.567 0.00 0.00 +0.035 A BRANCH 13 20 ATOM 19 O LIG 1 5.745 -1.771 0.348 0.00 0.00 -0.245 OA ATOM 20 C LIG 1 4.539 -1.627 0.283 0.00 0.00 +0.337 C BRANCH 20 21 ATOM 21 O LIG 1 3.712 -2.670 0.113 0.00 0.00 -0.477 OA ATOM 22 H LIG 1 4.304 -3.449 0.063 0.00 0.00 +0.295 HD ENDBRANCH 20 21 ENDBRANCH 13 20 ENDBRANCH 1 15 BRANCH 2 23 ATOM 23 O LIG 1 0.241 3.521 0.553 0.00 0.00 -0.492 OA ATOM 24 H LIG 1 1.217 3.405 0.612 0.00 0.00 +0.294 HD ENDBRANCH 2 23 TORSDOF 5