REMARK Name = BDB056127 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.805 0.287 0.104 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.628 -0.416 0.084 0.00 0.00 -0.303 N ATOM 3 H LIG 1 0.585 -1.364 0.451 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 1.907 1.427 -0.356 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -0.595 0.108 -0.507 0.00 0.00 +0.156 C ATOM 6 C LIG 1 -0.582 -0.056 -2.023 0.00 0.00 +0.038 C BRANCH 5 7 ATOM 7 C LIG 1 -1.794 -0.644 0.113 0.00 0.00 +0.237 C ATOM 8 N LIG 1 -3.011 -0.047 -0.178 0.00 0.00 -0.283 N ATOM 9 H LIG 1 -2.960 0.812 -0.703 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -1.612 -1.665 0.775 0.00 0.00 -0.273 OA BRANCH 8 11 ATOM 11 C LIG 1 -4.315 -0.471 0.195 0.00 0.00 +0.041 A ATOM 12 C LIG 1 -5.448 0.323 -0.187 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -6.744 -0.121 0.194 0.00 0.00 -0.016 A ATOM 14 C LIG 1 -7.886 0.620 -0.154 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -7.783 1.804 -0.878 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -6.534 2.263 -1.263 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.898 -1.307 0.922 0.00 0.00 +0.008 A ATOM 18 C LIG 1 -5.793 -2.067 1.283 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -5.387 1.537 -0.924 0.00 0.00 +0.010 A ATOM 20 C LIG 1 -4.514 -1.652 0.922 0.00 0.00 +0.024 A ENDBRANCH 8 11 ENDBRANCH 5 7 ENDBRANCH 2 5 BRANCH 1 21 ATOM 21 C LIG 1 2.991 -0.437 0.779 0.00 0.00 +0.161 C BRANCH 21 22 ATOM 22 N LIG 1 4.170 0.049 0.062 0.00 0.00 -0.302 N ATOM 23 H LIG 1 4.282 1.056 0.074 0.00 0.00 +0.150 HD ATOM 24 C LIG 1 4.591 -0.593 -1.089 0.00 0.00 +0.233 C ATOM 25 O LIG 1 4.127 -1.674 -1.447 0.00 0.00 -0.274 OA BRANCH 24 26 ATOM 26 CA LIG 1 5.567 0.214 -1.971 0.00 0.00 +0.163 C BRANCH 26 27 ATOM 27 N LIG 1 4.800 1.279 -2.665 0.00 0.00 -0.318 NA ATOM 28 H1 LIG 1 4.197 1.764 -1.998 0.00 0.00 +0.119 HD ATOM 29 H2 LIG 1 4.146 0.815 -3.300 0.00 0.00 +0.119 HD ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 C LIG 1 6.753 0.796 -1.187 0.00 0.00 +0.183 C BRANCH 30 31 ATOM 31 O LIG 1 7.613 -0.242 -0.727 0.00 0.00 -0.393 OA ATOM 32 H LIG 1 8.388 0.186 -0.323 0.00 0.00 +0.209 HD ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 24 26 ENDBRANCH 21 22 BRANCH 21 34 ATOM 33 C LIG 1 1.853 -0.585 3.062 0.00 0.00 +0.009 C ATOM 34 C LIG 1 3.080 -0.099 2.284 0.00 0.00 +0.012 C ATOM 35 C LIG 1 4.339 -0.714 2.910 0.00 0.00 +0.009 C ENDBRANCH 21 34 ENDBRANCH 1 21 TORSDOF 10