REMARK Name = BDB007004 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.566 -1.716 -0.710 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.595 -1.564 -1.455 0.00 0.00 -0.268 N ATOM 3 C LIG 1 1.887 -1.429 -0.921 0.00 0.00 +0.058 A ATOM 4 C LIG 1 2.842 -1.391 -1.929 0.00 0.00 +0.070 A ATOM 5 N LIG 1 4.167 -1.244 -1.734 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 4.542 -1.110 -0.438 0.00 0.00 +0.115 A ATOM 7 C LIG 1 3.662 -1.129 0.650 0.00 0.00 -0.023 A ATOM 8 C LIG 1 2.207 -1.575 -3.291 0.00 0.00 +0.025 C ATOM 9 C LIG 1 2.568 -2.949 -3.864 0.00 0.00 +0.019 C ATOM 10 C LIG 1 2.608 -0.460 -4.258 0.00 0.00 +0.019 C ATOM 11 C LIG 1 2.294 -1.302 0.392 0.00 0.00 +0.030 A ATOM 12 C LIG 1 0.703 -1.495 -2.925 0.00 0.00 +0.126 C ATOM 13 O LIG 1 -0.564 -1.955 0.498 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -1.878 -1.597 -1.516 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -4.243 -1.839 2.547 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -4.719 -1.866 1.091 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -5.348 -0.586 0.707 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -5.684 -0.722 -0.248 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -4.331 0.489 0.623 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -2.934 0.071 0.047 0.00 0.00 +0.088 C ATOM 21 N LIG 1 -3.073 -1.181 -0.748 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -3.586 -2.283 0.103 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -2.336 1.270 -0.745 0.00 0.00 +0.131 C BRANCH 23 24 ATOM 24 N LIG 1 -2.270 2.517 0.003 0.00 0.00 -0.263 N ATOM 25 C LIG 1 -1.408 2.700 1.071 0.00 0.00 +0.403 C ATOM 26 O LIG 1 -0.799 1.833 1.672 0.00 0.00 -0.226 OA ATOM 27 O LIG 1 -1.294 4.037 1.352 0.00 0.00 -0.449 OA ATOM 28 C LIG 1 -2.201 4.741 0.497 0.00 0.00 +0.253 C ATOM 29 C LIG 1 -2.456 3.781 -0.639 0.00 0.00 +0.152 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 30 ATOM 30 C LIG 1 4.159 -0.926 2.058 0.00 0.00 +0.074 C BRANCH 30 31 ATOM 31 C LIG 1 3.889 0.461 2.583 0.00 0.00 -0.008 A ATOM 32 C LIG 1 2.764 0.709 3.381 0.00 0.00 +0.130 A ATOM 33 F LIG 1 1.957 -0.303 3.724 0.00 0.00 -0.205 F ATOM 34 C LIG 1 2.464 1.986 3.835 0.00 0.00 +0.077 A ATOM 35 C LIG 1 3.307 3.032 3.494 0.00 0.00 +0.126 A ATOM 36 F LIG 1 3.037 4.268 3.928 0.00 0.00 -0.205 F ATOM 37 C LIG 1 4.435 2.818 2.709 0.00 0.00 +0.039 A ATOM 38 C LIG 1 4.725 1.534 2.248 0.00 0.00 +0.009 A ENDBRANCH 30 31 ENDBRANCH 7 30 TORSDOF 6