REMARK Name = BDB020476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.572 -1.851 -0.574 0.00 0.00 +0.041 C ATOM 2 C LIG 1 -3.570 -1.370 0.471 0.00 0.00 +0.171 C ATOM 3 N LIG 1 -2.380 -0.795 -0.141 0.00 0.00 -0.317 N ATOM 4 C LIG 1 -1.293 -1.583 -0.445 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.377 -0.730 -1.014 0.00 0.00 +0.094 A ATOM 6 N LIG 1 -0.866 0.548 -1.032 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 -1.294 -3.023 -0.130 0.00 0.00 +0.163 C ATOM 8 N LIG 1 -2.018 -3.226 1.115 0.00 0.00 -0.297 N ATOM 9 C LIG 1 -1.719 -4.436 1.859 0.00 0.00 +0.132 C ATOM 10 C LIG 1 -2.069 0.497 -0.489 0.00 0.00 +0.117 A ATOM 11 C LIG 1 -3.204 -2.547 1.384 0.00 0.00 +0.238 C ATOM 12 O LIG 1 -3.964 -2.888 2.293 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 0.937 -1.091 -1.512 0.00 0.00 +0.011 A ATOM 14 C LIG 1 2.123 -0.531 -0.959 0.00 0.00 +0.010 A ATOM 15 C LIG 1 3.373 -0.918 -1.481 0.00 0.00 +0.072 A ATOM 16 N LIG 1 4.537 -0.447 -1.009 0.00 0.00 -0.246 NA ATOM 17 C LIG 1 4.531 0.437 0.022 0.00 0.00 +0.083 A ATOM 18 C LIG 1 3.361 0.910 0.600 0.00 0.00 +0.044 A ATOM 19 C LIG 1 3.415 -1.831 -2.526 0.00 0.00 +0.028 A ATOM 20 C LIG 1 2.256 -2.377 -3.077 0.00 0.00 +0.003 A ATOM 21 C LIG 1 2.154 0.400 0.102 0.00 0.00 +0.022 A ATOM 22 C LIG 1 1.017 -2.006 -2.572 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.854 0.857 0.443 0.00 0.00 +0.038 A ATOM 24 C LIG 1 6.855 1.240 -0.427 0.00 0.00 +0.118 A ATOM 25 N LIG 1 7.939 1.536 0.343 0.00 0.00 -0.274 N ATOM 26 C LIG 1 9.236 1.973 -0.113 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.716 1.385 1.661 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 6.459 0.936 1.717 0.00 0.00 +0.144 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 3.353 1.924 1.702 0.00 0.00 +0.374 C ATOM 30 F LIG 1 3.700 1.385 2.905 0.00 0.00 -0.204 F ATOM 31 F LIG 1 2.125 2.488 1.905 0.00 0.00 -0.204 F ENDBRANCH 18 29 ENDBRANCH 5 13 BRANCH 10 32 ATOM 32 C LIG 1 -2.891 1.826 -0.359 0.00 0.00 +0.086 C ATOM 33 C LIG 1 -4.226 1.862 -1.127 0.00 0.00 +0.121 C ATOM 34 N LIG 1 -4.946 1.625 0.151 0.00 0.00 -0.180 NA ATOM 35 C LIG 1 -3.736 2.043 0.908 0.00 0.00 +0.121 C BRANCH 34 36 ATOM 36 S LIG 1 -6.552 1.885 0.509 0.00 0.00 +0.029 S ATOM 37 O LIG 1 -7.331 1.284 -0.552 0.00 0.00 -0.158 OA ATOM 38 O LIG 1 -6.751 1.520 1.895 0.00 0.00 -0.158 OA ATOM 39 C LIG 1 -6.703 3.654 0.375 0.00 0.00 +0.215 C ENDBRANCH 34 36 ENDBRANCH 10 32 TORSDOF 5