REMARK Name = BDB009327 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.612 3.077 0.123 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.451 3.448 -1.207 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.724 3.914 -1.654 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.508 3.320 -2.101 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.737 2.825 -1.655 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.918 2.458 -0.311 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.847 2.606 0.583 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 4.658 -1.226 2.741 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 4.432 -0.826 1.602 0.00 0.00 +0.247 C ATOM 10 N LIG 1 3.632 0.280 1.332 0.00 0.00 -0.295 N ATOM 11 C LIG 1 3.149 1.067 2.469 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.602 2.436 2.054 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.553 2.331 1.033 0.00 0.00 -0.294 N ATOM 14 C LIG 1 0.490 3.227 1.084 0.00 0.00 +0.249 C ATOM 15 O LIG 1 0.379 4.112 1.928 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 1.645 1.187 0.115 0.00 0.00 +0.127 C ATOM 17 C LIG 1 3.063 0.603 0.017 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 5.043 -1.564 0.473 0.00 0.00 +0.037 A ATOM 19 C LIG 1 5.822 -0.900 -0.481 0.00 0.00 +0.013 A ATOM 20 C LIG 1 6.400 -1.623 -1.526 0.00 0.00 +0.001 A ATOM 21 C LIG 1 6.212 -3.004 -1.607 0.00 0.00 +0.000 A ATOM 22 C LIG 1 5.455 -3.668 -0.640 0.00 0.00 +0.001 A ATOM 23 C LIG 1 4.876 -2.951 0.407 0.00 0.00 +0.013 A ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 24 ATOM 24 C LIG 1 -4.255 1.943 0.171 0.00 0.00 +0.092 C BRANCH 24 25 ATOM 25 C LIG 1 -4.701 0.675 -0.552 0.00 0.00 +0.069 A ATOM 26 C LIG 1 -4.108 -0.646 -0.170 0.00 0.00 -0.016 A ATOM 27 C LIG 1 -3.126 -0.761 0.963 0.00 0.00 +0.037 C ATOM 28 C LIG 1 -2.893 -2.204 1.421 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -2.736 -3.140 0.230 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -3.980 -3.106 -0.660 0.00 0.00 +0.041 C ATOM 31 C LIG 1 -4.503 -1.714 -0.886 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -5.507 -1.555 -1.969 0.00 0.00 +0.268 A ATOM 33 O LIG 1 -5.898 -2.510 -2.633 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -5.969 -0.284 -2.175 0.00 0.00 -0.243 N ATOM 35 H LIG 1 -6.657 -0.155 -2.909 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 -5.579 0.828 -1.499 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 4