REMARK Name = BDB022893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.524 3.425 -0.074 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -1.628 2.006 0.506 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -1.419 0.983 -0.534 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -2.413 0.273 -1.198 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -2.175 -0.304 -2.263 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -0.062 0.895 -1.094 0.00 0.00 +0.163 C ATOM 7 C LIG 1 1.049 1.162 -0.100 0.00 0.00 +0.067 A ATOM 8 C LIG 1 0.766 1.601 1.181 0.00 0.00 -0.005 A ATOM 9 C LIG 1 1.859 1.807 1.990 0.00 0.00 +0.120 A ATOM 10 N LIG 1 3.130 1.633 1.584 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 3.314 1.228 0.320 0.00 0.00 +0.216 A ATOM 12 N LIG 1 2.316 0.984 -0.537 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 -0.638 1.785 1.664 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -3.819 0.233 -0.596 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.521 -1.119 -0.911 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -6.061 -0.960 -1.018 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -6.558 0.108 -0.140 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -8.017 0.103 -0.062 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -6.055 1.427 -0.540 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -4.651 1.390 -1.154 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.077 -2.179 0.095 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -4.649 -2.281 1.372 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -4.201 -3.244 2.279 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.171 -4.112 1.925 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -2.585 -4.016 0.665 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.033 -3.055 -0.243 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 4.594 1.047 -0.176 0.00 0.00 -0.308 N ATOM 28 H LIG 1 4.505 0.445 -0.990 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 5.526 0.508 0.803 0.00 0.00 +0.161 C BRANCH 29 30 ATOM 30 C LIG 1 6.838 0.051 0.220 0.00 0.00 +0.080 A ATOM 31 N LIG 1 6.898 -1.033 -0.568 0.00 0.00 -0.174 NA ATOM 32 N LIG 1 8.199 -1.131 -0.904 0.00 0.00 -0.266 N ATOM 33 C LIG 1 8.619 -2.221 -1.755 0.00 0.00 +0.172 C ATOM 34 C LIG 1 8.973 -0.135 -0.371 0.00 0.00 +0.104 A ATOM 35 C LIG 1 8.110 0.649 0.367 0.00 0.00 +0.055 A BRANCH 34 36 ATOM 36 C LIG 1 10.424 -0.012 -0.617 0.00 0.00 +0.389 C ATOM 37 F LIG 1 11.023 -1.230 -0.688 0.00 0.00 -0.202 F ATOM 38 F LIG 1 11.037 0.650 0.400 0.00 0.00 -0.202 F ENDBRANCH 34 36 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 6