REMARK Name = BDB021349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.895 -0.385 0.146 0.00 0.00 +0.043 A ATOM 2 C LIG 1 1.465 0.040 1.434 0.00 0.00 +0.151 A ATOM 3 N LIG 1 0.147 -0.214 1.760 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -0.038 0.211 3.055 0.00 0.00 +0.134 A ATOM 5 C LIG 1 1.171 0.749 3.432 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -0.753 -0.829 0.868 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -0.342 -1.227 -0.305 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 2.094 0.650 2.421 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 0.977 -0.992 -0.636 0.00 0.00 +0.126 A ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 7.301 0.121 -1.885 0.00 0.00 +0.044 C ATOM 11 C LIG 1 5.889 -0.005 -1.393 0.00 0.00 -0.050 A ATOM 12 C LIG 1 5.059 1.122 -1.324 0.00 0.00 +0.007 A ATOM 13 C LIG 1 3.743 1.032 -0.837 0.00 0.00 -0.042 A ATOM 14 C LIG 1 2.904 2.280 -0.774 0.00 0.00 +0.044 C ATOM 15 C LIG 1 3.263 -0.214 -0.385 0.00 0.00 -0.010 A ATOM 16 C LIG 1 4.105 -1.337 -0.440 0.00 0.00 +0.009 A ATOM 17 C LIG 1 5.406 -1.232 -0.936 0.00 0.00 +0.004 A ENDBRANCH 1 15 BRANCH 5 18 ATOM 18 C LIG 1 1.499 1.341 4.693 0.00 0.00 +0.121 C ATOM 19 N LIG 1 1.723 1.820 5.728 0.00 0.00 -0.189 NA ENDBRANCH 5 18 BRANCH 6 20 ATOM 20 N LIG 1 -2.070 -1.032 1.216 0.00 0.00 -0.310 N ATOM 21 H LIG 1 -2.493 -1.636 0.512 0.00 0.00 +0.149 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.940 0.109 1.490 0.00 0.00 +0.143 C BRANCH 22 23 ATOM 23 C LIG 1 -4.264 -0.050 0.800 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -4.406 0.060 -0.581 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -3.387 0.277 -1.637 0.00 0.00 +0.080 C ATOM 26 C LIG 1 -4.311 0.590 -2.814 0.00 0.00 +0.234 C ATOM 27 O LIG 1 -5.613 0.016 -2.553 0.00 0.00 -0.491 OA ATOM 28 C LIG 1 -5.644 -0.110 -1.188 0.00 0.00 +0.124 A ATOM 29 C LIG 1 -6.786 -0.399 -0.469 0.00 0.00 +0.049 A ATOM 30 C LIG 1 -6.670 -0.505 0.916 0.00 0.00 +0.042 A ATOM 31 C LIG 1 -5.425 -0.331 1.534 0.00 0.00 +0.129 A ATOM 32 F LIG 1 -5.355 -0.443 2.869 0.00 0.00 -0.205 F ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 5