REMARK Name = BDB011026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.817 0.232 -0.806 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.599 0.840 -0.487 0.00 0.00 +0.020 A ATOM 3 C LIG 1 1.409 0.098 -0.510 0.00 0.00 +0.066 A ATOM 4 C LIG 1 1.409 -1.254 -0.860 0.00 0.00 +0.090 A ATOM 5 N LIG 1 0.224 -1.995 -0.874 0.00 0.00 -0.236 NA ATOM 6 C LIG 1 -0.876 -1.403 -0.543 0.00 0.00 +0.209 A ATOM 7 N LIG 1 -1.008 -0.080 -0.189 0.00 0.00 -0.251 N ATOM 8 C LIG 1 2.622 -1.875 -1.191 0.00 0.00 +0.081 A ATOM 9 C LIG 1 0.118 0.746 -0.179 0.00 0.00 +0.267 A ATOM 10 O LIG 1 0.147 1.961 0.013 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 3.814 -1.124 -1.164 0.00 0.00 +0.019 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.282 0.458 0.184 0.00 0.00 +0.142 A ATOM 13 N LIG 1 -2.321 1.527 1.004 0.00 0.00 -0.237 NA ATOM 14 C LIG 1 -3.514 2.030 1.369 0.00 0.00 +0.113 A ATOM 15 C LIG 1 -4.726 1.500 0.968 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -4.748 0.386 0.122 0.00 0.00 -0.029 A ATOM 17 C LIG 1 -3.479 -0.113 -0.264 0.00 0.00 +0.051 A BRANCH 16 18 ATOM 18 C LIG 1 -6.098 -0.314 -0.411 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -7.489 0.381 -0.202 0.00 0.00 +0.025 C ATOM 20 C LIG 1 -7.305 1.049 -1.585 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -6.386 -0.142 -1.950 0.00 0.00 +0.025 C BRANCH 18 22 ATOM 22 C LIG 1 -6.112 -1.827 0.043 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -6.353 -2.324 1.295 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -6.668 -1.591 2.489 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -6.207 -3.673 1.196 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -5.886 -3.990 -0.036 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -5.818 -2.826 -0.762 0.00 0.00 -0.134 NA ENDBRANCH 18 22 BRANCH 20 28 ATOM 28 C LIG 1 -8.551 1.221 -2.425 0.00 0.00 +0.217 C ATOM 29 F LIG 1 -8.167 1.665 -3.652 0.00 0.00 -0.249 F ENDBRANCH 20 28 ENDBRANCH 16 18 ENDBRANCH 7 12 BRANCH 8 30 ATOM 30 C LIG 1 2.654 -3.333 -1.568 0.00 0.00 +0.419 C ATOM 31 F LIG 1 3.912 -3.773 -1.876 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.225 -4.160 -0.573 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.903 -3.626 -2.667 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 1 34 ATOM 34 C LIG 1 5.106 1.029 -0.795 0.00 0.00 +0.119 C BRANCH 34 38 ATOM 35 C LIG 1 9.940 1.035 0.216 0.00 0.00 +0.009 C ATOM 36 C LIG 1 8.550 0.619 0.693 0.00 0.00 +0.000 C ATOM 37 C LIG 1 7.481 0.933 -0.361 0.00 0.00 +0.088 C ATOM 38 N LIG 1 6.160 0.402 0.014 0.00 0.00 -0.298 NA ATOM 39 C LIG 1 5.889 0.457 1.459 0.00 0.00 +0.085 C ATOM 40 C LIG 1 6.702 1.516 2.199 0.00 0.00 +0.016 C ATOM 41 C LIG 1 8.205 1.296 2.028 0.00 0.00 +0.006 C ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 7