REMARK Name = BDB011666 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.206 -1.165 0.479 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.350 -2.392 0.245 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.836 -3.344 -0.384 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.957 -2.403 0.721 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.509 -1.481 1.700 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -1.213 -0.092 1.845 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -1.951 0.640 2.812 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -2.872 0.053 3.676 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -3.094 -1.302 3.598 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -0.288 0.675 1.033 0.00 0.00 -0.267 N ATOM 11 C LIG 1 0.285 1.875 1.519 0.00 0.00 +0.224 C ATOM 12 O LIG 1 0.413 2.131 2.718 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -2.424 -2.046 2.628 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.388 0.003 -0.062 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 3.530 -0.502 -0.080 0.00 0.00 +0.230 C ATOM 16 N LIG 1 2.471 -1.361 -0.239 0.00 0.00 -0.301 N ATOM 17 H LIG 1 2.622 -2.297 -0.604 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 3.400 0.577 0.499 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 4.856 -0.920 -0.772 0.00 0.00 +0.137 C ATOM 20 C LIG 1 5.253 -2.357 -0.444 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 6.867 0.314 -1.364 0.00 0.00 +0.101 C ATOM 22 N LIG 1 5.932 -0.021 -0.303 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 5.493 0.840 0.046 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 -1.822 -3.482 0.185 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 -3.016 -2.960 -0.608 0.00 0.00 -0.022 A ATOM 26 C LIG 1 -2.891 -2.414 -1.922 0.00 0.00 -0.013 A ATOM 27 C LIG 1 -4.048 -1.885 -2.553 0.00 0.00 -0.018 A ATOM 28 C LIG 1 -3.960 -1.321 -3.837 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -2.749 -1.279 -4.523 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -1.611 -1.813 -3.936 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.287 -1.931 -1.903 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -5.409 -2.498 -0.639 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -1.684 -2.376 -2.659 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -4.285 -3.008 0.001 0.00 0.00 +0.006 A ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 35 ATOM 35 C LIG 1 0.730 2.873 0.449 0.00 0.00 +0.131 C BRANCH 35 36 ATOM 36 C LIG 1 0.433 4.310 0.816 0.00 0.00 -0.039 A ATOM 37 C LIG 1 -0.823 4.869 0.542 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -1.099 6.191 0.893 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -0.128 6.963 1.527 0.00 0.00 +0.000 A ATOM 40 C LIG 1 1.120 6.414 1.813 0.00 0.00 +0.000 A ATOM 41 C LIG 1 1.399 5.092 1.463 0.00 0.00 +0.004 A ENDBRANCH 35 36 ENDBRANCH 11 35 TORSDOF 7