REMARK Name = BDB010197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.526 -0.830 0.003 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.218 -1.279 -0.155 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.084 -2.616 0.029 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.406 -2.863 -0.170 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.956 -1.711 -0.471 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.819 -3.555 0.351 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.051 -3.057 0.453 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.990 -0.718 -0.522 0.00 0.00 -0.303 N ATOM 9 N LIG 1 2.448 -1.770 0.297 0.00 0.00 -0.208 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -3.259 -1.479 -0.784 0.00 0.00 -0.296 N ATOM 11 C LIG 1 -4.131 -2.565 -1.298 0.00 0.00 +0.032 C ATOM 12 C LIG 1 -4.193 -3.794 -0.375 0.00 0.00 +0.031 C ATOM 13 C LIG 1 -3.715 -2.975 -2.713 0.00 0.00 +0.031 C ATOM 14 C LIG 1 -5.506 -1.865 -1.332 0.00 0.00 +0.027 C ATOM 15 C LIG 1 -5.496 -1.029 -0.064 0.00 0.00 +0.021 C ATOM 16 C LIG 1 -4.050 -0.548 0.036 0.00 0.00 +0.108 C ENDBRANCH 5 10 BRANCH 7 17 ATOM 17 C LIG 1 3.140 -4.004 0.782 0.00 0.00 +0.220 A ATOM 18 N LIG 1 4.399 -3.543 0.862 0.00 0.00 -0.269 N ATOM 19 H LIG 1 4.707 -2.597 0.713 0.00 0.00 +0.174 HD ATOM 20 C LIG 1 5.179 -4.587 1.168 0.00 0.00 +0.440 A ATOM 21 O LIG 1 6.389 -4.555 1.323 0.00 0.00 -0.221 OA ATOM 22 O LIG 1 4.387 -5.702 1.279 0.00 0.00 -0.295 OA ATOM 23 N LIG 1 3.045 -5.273 1.016 0.00 0.00 -0.051 NA ENDBRANCH 7 17 BRANCH 1 24 ATOM 24 N LIG 1 1.899 0.499 -0.136 0.00 0.00 -0.324 N ATOM 25 H LIG 1 1.170 1.147 0.139 0.00 0.00 +0.148 HD BRANCH 24 27 ATOM 26 C LIG 1 3.243 1.063 1.840 0.00 0.00 +0.028 C ATOM 27 C LIG 1 3.227 0.917 0.317 0.00 0.00 +0.072 C BRANCH 27 28 ATOM 28 C LIG 1 3.549 2.274 -0.318 0.00 0.00 +0.009 C ATOM 29 C LIG 1 5.018 2.773 -0.218 0.00 0.00 +0.005 C ATOM 30 C LIG 1 4.841 3.353 -1.636 0.00 0.00 +0.001 C ATOM 31 C LIG 1 3.753 2.283 -1.859 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 8 32 ATOM 32 C LIG 1 -1.166 0.607 -1.100 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 C LIG 1 -1.182 1.741 -0.094 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -0.974 3.046 -0.569 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -0.964 4.136 0.304 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -1.176 3.951 1.676 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -1.389 2.652 2.155 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -1.400 1.561 1.280 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -1.142 5.132 2.617 0.00 0.00 +0.417 C ATOM 40 F LIG 1 0.130 5.534 2.891 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -1.782 6.224 2.115 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.724 4.880 3.822 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 8