REMARK Name = BDB026046 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.316 0.807 -0.645 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.753 1.910 -1.307 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.545 2.809 -1.913 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.625 2.120 -1.372 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.503 1.215 -0.775 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.960 0.098 -0.095 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.425 -0.096 -0.034 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.906 1.386 -0.776 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.516 1.633 -2.107 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.989 2.107 -1.947 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.713 2.047 -3.297 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.111 3.396 -1.209 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -5.303 4.582 -2.038 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.969 3.608 -0.286 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.373 2.308 0.294 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 5.509 0.193 -0.462 0.00 0.00 +0.218 A ATOM 17 N LIG 1 4.705 -0.862 -0.655 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 3.372 -0.639 -0.712 0.00 0.00 +0.124 A ATOM 19 C LIG 1 2.771 0.598 -0.585 0.00 0.00 +0.021 A ATOM 20 C LIG 1 3.688 1.611 -0.393 0.00 0.00 +0.124 A ATOM 21 N LIG 1 5.029 1.439 -0.330 0.00 0.00 -0.222 NA BRANCH 16 27 ATOM 22 C LIG 1 8.877 -2.655 1.452 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.320 -1.279 1.112 0.00 0.00 +0.133 C ATOM 24 O LIG 1 9.442 -0.392 0.936 0.00 0.00 -0.374 OA ATOM 25 C LIG 1 9.169 0.713 0.059 0.00 0.00 +0.179 C ATOM 26 C LIG 1 7.691 1.128 0.029 0.00 0.00 +0.136 C ATOM 27 N LIG 1 6.876 -0.001 -0.426 0.00 0.00 -0.295 N ATOM 28 C LIG 1 7.393 -1.340 -0.123 0.00 0.00 +0.139 C ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 6 29 ATOM 29 N LIG 1 -1.904 -0.777 0.480 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.861 -0.465 0.319 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.681 -1.905 1.226 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.604 -2.369 1.579 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.945 -2.572 1.662 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -3.247 -2.787 3.069 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -4.385 -3.421 3.405 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -5.332 -3.913 2.369 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -6.355 -4.490 2.721 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.962 -3.671 1.047 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -5.818 -4.152 -0.027 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -3.783 -3.023 0.715 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -2.280 -2.268 4.092 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -2.725 -2.502 5.359 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -2.161 -0.916 3.991 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6