REMARK Name = BDB010260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.680 -1.220 -0.275 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.309 -1.409 -0.143 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.265 -2.594 -0.564 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.617 -2.590 -0.387 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 1.900 -1.422 0.171 0.00 0.00 +0.200 A ATOM 6 N LIG 1 -0.416 -3.624 -1.083 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.735 -3.391 -1.135 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.746 -0.686 0.377 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -2.382 -2.263 -0.758 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.276 -1.047 0.493 0.00 0.00 +0.284 C ATOM 11 N LIG 1 4.157 -2.070 0.203 0.00 0.00 -0.279 N ATOM 12 H LIG 1 3.711 -2.898 -0.187 0.00 0.00 +0.155 HD ATOM 13 O LIG 1 3.576 0.051 0.948 0.00 0.00 -0.267 OA BRANCH 11 14 ATOM 14 C LIG 1 5.553 -2.103 0.365 0.00 0.00 +0.034 A ATOM 15 C LIG 1 6.211 -3.277 -0.024 0.00 0.00 +0.023 A ATOM 16 C LIG 1 7.598 -3.393 0.105 0.00 0.00 +0.002 A ATOM 17 C LIG 1 8.339 -2.335 0.624 0.00 0.00 +0.000 A ATOM 18 C LIG 1 7.692 -1.165 1.013 0.00 0.00 +0.002 A ATOM 19 C LIG 1 6.304 -1.048 0.884 0.00 0.00 +0.023 A ENDBRANCH 11 14 ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 -2.311 -0.031 0.065 0.00 0.00 -0.324 N ATOM 21 H LIG 1 -1.766 0.773 -0.230 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 -3.911 0.458 -1.735 0.00 0.00 +0.028 C ATOM 23 C LIG 1 -3.737 0.112 -0.253 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 -4.309 1.259 0.601 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -4.330 1.028 2.139 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -5.789 0.559 1.998 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -5.858 1.365 0.688 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 -2.575 -4.512 -1.688 0.00 0.00 +0.375 C ATOM 29 O LIG 1 -2.183 -5.602 -2.072 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 -3.896 -4.220 -1.741 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 -4.300 -5.030 -2.114 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 0.641 0.542 1.160 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 0.512 1.792 0.318 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -0.395 2.790 0.712 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -0.536 3.965 -0.031 0.00 0.00 +0.013 A ATOM 36 C LIG 1 0.240 4.179 -1.177 0.00 0.00 +0.055 A ATOM 37 C LIG 1 1.170 3.200 -1.553 0.00 0.00 +0.013 A ATOM 38 C LIG 1 1.309 2.023 -0.811 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 0.111 5.449 -1.983 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -0.021 5.211 -3.317 0.00 0.00 -0.166 F ATOM 41 F LIG 1 1.196 6.260 -1.852 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -0.966 6.206 -1.633 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 10