REMARK Name = BDB030957 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.493 1.726 -0.027 0.00 0.00 +0.090 A ATOM 2 C LIG 1 0.966 2.884 -0.600 0.00 0.00 +0.099 A ATOM 3 C LIG 1 2.223 2.773 -1.147 0.00 0.00 +0.129 A ATOM 4 N LIG 1 2.946 1.637 -1.152 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 2.390 0.556 -0.600 0.00 0.00 +0.216 A ATOM 6 N LIG 1 1.185 0.563 -0.028 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.316 -0.691 0.292 0.00 0.00 +0.042 A ATOM 8 C LIG 1 -4.161 0.355 1.241 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -2.915 1.025 1.245 0.00 0.00 +0.052 A ATOM 10 C LIG 1 -1.889 0.745 0.341 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -0.803 1.632 0.624 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -1.169 2.385 1.720 0.00 0.00 +0.093 A ATOM 13 C LIG 1 -2.093 -0.269 -0.612 0.00 0.00 +0.012 A ATOM 14 N LIG 1 -2.440 2.020 2.075 0.00 0.00 -0.360 N ATOM 15 H LIG 1 -2.962 2.411 2.847 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 -3.299 -0.979 -0.621 0.00 0.00 +0.024 A BRANCH 7 18 ATOM 17 C LIG 1 -5.925 -2.458 -0.471 0.00 0.00 +0.404 C ATOM 18 N LIG 1 -5.519 -1.427 0.324 0.00 0.00 -0.251 N ATOM 19 H LIG 1 -6.196 -1.185 1.032 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 -5.333 -2.976 -1.405 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 -7.717 -3.930 -0.796 0.00 0.00 +0.282 C ATOM 22 O LIG 1 -7.159 -2.848 -0.048 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 C LIG 1 -5.185 0.768 2.274 0.00 0.00 +0.023 C ATOM 24 C LIG 1 -6.578 1.183 1.846 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -5.636 2.211 2.384 0.00 0.00 +0.009 C ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 26 ATOM 26 C LIG 1 0.223 4.166 -0.646 0.00 0.00 +0.421 C ATOM 27 F LIG 1 0.787 5.070 -1.501 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -1.067 4.048 -1.060 0.00 0.00 -0.166 F ATOM 29 F LIG 1 0.183 4.801 0.559 0.00 0.00 -0.166 F ENDBRANCH 2 26 BRANCH 5 30 ATOM 30 N LIG 1 3.049 -0.662 -0.590 0.00 0.00 -0.309 N ATOM 31 H LIG 1 2.563 -1.218 0.109 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 4.502 -0.607 -0.454 0.00 0.00 +0.087 C ATOM 33 C LIG 1 5.194 -0.366 -1.827 0.00 0.00 +0.103 C ATOM 34 N LIG 1 6.567 -0.896 -1.960 0.00 0.00 -0.312 NA ATOM 35 H LIG 1 6.515 -1.827 -2.376 0.00 0.00 +0.122 HD ATOM 36 C LIG 1 7.231 -0.986 -0.659 0.00 0.00 +0.051 C ATOM 37 C LIG 1 8.692 -1.382 -0.860 0.00 0.00 +0.024 C ATOM 38 C LIG 1 6.513 -1.999 0.247 0.00 0.00 +0.020 C ATOM 39 C LIG 1 4.986 -1.943 0.126 0.00 0.00 +0.025 C ENDBRANCH 30 32 ENDBRANCH 5 30 TORSDOF 7