REMARK Name = BDB022884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.534 -4.293 -0.447 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -2.386 -3.332 -0.758 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -2.696 -1.898 -0.582 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -3.264 -1.478 0.622 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -3.374 -2.252 1.579 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -1.698 -1.066 -1.261 0.00 0.00 +0.163 C ATOM 7 C LIG 1 -0.291 -1.405 -0.799 0.00 0.00 +0.067 A ATOM 8 C LIG 1 -0.018 -2.652 -0.252 0.00 0.00 -0.005 A ATOM 9 C LIG 1 1.292 -2.854 0.112 0.00 0.00 +0.120 A ATOM 10 N LIG 1 2.263 -1.939 -0.065 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 1.912 -0.773 -0.622 0.00 0.00 +0.216 A ATOM 12 N LIG 1 0.662 -0.467 -0.992 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 -1.087 -3.686 -0.009 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -3.753 -0.037 0.801 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.480 0.574 -0.421 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -4.333 2.121 -0.443 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -4.348 2.695 0.906 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -4.449 4.151 0.878 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -3.219 2.254 1.734 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -2.657 0.880 1.350 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -5.925 0.087 -0.496 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -6.256 -0.967 -1.364 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -7.566 -1.444 -1.441 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -8.562 -0.879 -0.648 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -8.247 0.159 0.225 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -6.938 0.637 0.303 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 2.852 0.222 -0.850 0.00 0.00 -0.311 N ATOM 28 H LIG 1 2.305 1.067 -0.972 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 3.964 0.297 0.099 0.00 0.00 +0.076 C ATOM 30 C LIG 1 5.084 -0.665 -0.336 0.00 0.00 +0.041 C ATOM 31 C LIG 1 6.452 -0.207 0.150 0.00 0.00 +0.109 C ATOM 32 N LIG 1 6.782 1.133 -0.329 0.00 0.00 -0.301 N ATOM 33 C LIG 1 8.079 1.607 -0.476 0.00 0.00 +0.219 C ATOM 34 O LIG 1 8.354 2.705 -0.948 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 5.671 2.005 -0.697 0.00 0.00 +0.109 C ATOM 36 C LIG 1 4.459 1.754 0.190 0.00 0.00 +0.041 C BRANCH 33 37 ATOM 37 C LIG 1 9.184 0.710 -0.036 0.00 0.00 +0.075 C ATOM 38 C LIG 1 9.418 0.435 1.432 0.00 0.00 +0.013 C ATOM 39 C LIG 1 10.384 1.295 0.677 0.00 0.00 +0.013 C ENDBRANCH 33 37 ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 5