REMARK Name = BDB030955 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.566 -1.043 -0.705 0.00 0.00 +0.090 A ATOM 2 C LIG 1 -1.295 -2.186 -0.936 0.00 0.00 +0.099 A ATOM 3 C LIG 1 -2.559 -2.170 -0.394 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -3.060 -1.145 0.322 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 -2.268 -0.090 0.519 0.00 0.00 +0.216 A ATOM 6 N LIG 1 -1.034 -0.002 0.022 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.628 -0.080 0.372 0.00 0.00 +0.042 A ATOM 8 C LIG 1 4.360 -0.162 -1.022 0.00 0.00 +0.001 A ATOM 9 C LIG 1 3.023 -0.437 -1.393 0.00 0.00 +0.052 A ATOM 10 C LIG 1 1.982 -0.571 -0.472 0.00 0.00 +0.009 A ATOM 11 C LIG 1 0.784 -0.846 -1.205 0.00 0.00 +0.026 A ATOM 12 C LIG 1 1.116 -0.845 -2.543 0.00 0.00 +0.093 A ATOM 13 C LIG 1 2.275 -0.433 0.895 0.00 0.00 +0.012 A ATOM 14 N LIG 1 2.464 -0.624 -2.641 0.00 0.00 -0.360 N ATOM 15 H LIG 1 2.984 -0.583 -3.506 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 3.593 -0.197 1.302 0.00 0.00 +0.024 A BRANCH 7 18 ATOM 17 C LIG 1 6.492 0.227 2.021 0.00 0.00 +0.404 C ATOM 18 N LIG 1 5.968 0.109 0.767 0.00 0.00 -0.251 N ATOM 19 H LIG 1 6.668 0.157 0.042 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 5.910 0.202 3.094 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 8.528 0.525 3.139 0.00 0.00 +0.282 C ATOM 22 O LIG 1 7.839 0.387 1.895 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 C LIG 1 5.385 -0.036 -2.126 0.00 0.00 +0.023 C ATOM 24 C LIG 1 5.194 0.962 -3.251 0.00 0.00 +0.009 C ATOM 25 C LIG 1 6.255 1.200 -2.226 0.00 0.00 +0.009 C ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 26 ATOM 26 C LIG 1 -0.806 -3.358 -1.700 0.00 0.00 +0.421 C ATOM 27 F LIG 1 -1.609 -4.454 -1.553 0.00 0.00 -0.166 F ATOM 28 F LIG 1 0.435 -3.781 -1.339 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -0.760 -3.136 -3.044 0.00 0.00 -0.166 F ENDBRANCH 2 26 BRANCH 5 30 ATOM 30 N LIG 1 -2.686 0.997 1.254 0.00 0.00 -0.309 N ATOM 31 H LIG 1 -2.046 1.754 1.041 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 -4.098 1.377 1.311 0.00 0.00 +0.087 C ATOM 33 C LIG 1 -4.936 0.446 2.216 0.00 0.00 +0.103 C ATOM 34 N LIG 1 -6.356 0.832 2.206 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 -6.866 0.187 2.809 0.00 0.00 +0.123 HD ATOM 36 C LIG 1 -6.929 0.839 0.839 0.00 0.00 +0.019 C ATOM 37 C LIG 1 -8.301 0.234 0.647 0.00 0.00 +0.024 C ATOM 38 C LIG 1 -8.139 1.724 0.634 0.00 0.00 +0.024 C ATOM 39 C LIG 1 -5.946 0.717 -0.314 0.00 0.00 +0.024 C ATOM 40 C LIG 1 -4.723 1.603 -0.081 0.00 0.00 +0.025 C ENDBRANCH 30 32 ENDBRANCH 5 30 TORSDOF 7