REMARK Name = BDB021381 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.328 0.444 -0.232 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.537 1.022 -1.207 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -1.890 1.008 -0.928 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -2.531 1.580 -2.004 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -1.526 1.932 -2.874 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -2.425 0.474 0.263 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.618 -0.048 1.146 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -0.295 1.590 -2.374 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 -0.266 -0.041 0.880 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 4.628 0.277 -0.600 0.00 0.00 -0.028 A ATOM 11 C LIG 1 3.926 1.466 -0.843 0.00 0.00 +0.006 A ATOM 12 C LIG 1 2.533 1.514 -0.723 0.00 0.00 +0.009 A ATOM 13 C LIG 1 1.805 0.378 -0.349 0.00 0.00 -0.013 A ATOM 14 C LIG 1 2.504 -0.815 -0.114 0.00 0.00 +0.009 A ATOM 15 C LIG 1 3.897 -0.864 -0.234 0.00 0.00 +0.006 A BRANCH 10 18 ATOM 16 C LIG 1 6.272 0.481 1.747 0.00 0.00 +0.105 C ATOM 17 N LIG 1 6.920 0.084 0.511 0.00 0.00 -0.294 NA ATOM 18 C LIG 1 6.148 0.254 -0.746 0.00 0.00 +0.112 C ATOM 19 C LIG 1 6.558 -0.771 -1.848 0.00 0.00 +0.183 C ATOM 20 O LIG 1 7.972 -0.976 -1.897 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 8.505 -1.420 -0.641 0.00 0.00 +0.175 C ATOM 22 C LIG 1 7.581 -1.216 0.577 0.00 0.00 +0.113 C ENDBRANCH 10 18 ENDBRANCH 1 13 BRANCH 5 23 ATOM 23 C LIG 1 -1.670 2.567 -4.149 0.00 0.00 +0.121 C ATOM 24 N LIG 1 -1.829 3.086 -5.176 0.00 0.00 -0.189 NA ENDBRANCH 5 23 BRANCH 6 25 ATOM 25 N LIG 1 -3.790 0.517 0.453 0.00 0.00 -0.310 N ATOM 26 H LIG 1 -4.304 1.229 -0.052 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.373 0.211 1.748 0.00 0.00 +0.143 C BRANCH 27 28 ATOM 28 C LIG 1 -5.863 0.090 1.606 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -6.464 -0.996 0.976 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -5.852 -2.169 0.306 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -7.101 -3.036 0.141 0.00 0.00 +0.234 C ATOM 32 O LIG 1 -8.272 -2.188 0.170 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -7.843 -1.066 0.829 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -8.685 -0.074 1.292 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -8.107 1.021 1.933 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -6.715 1.095 2.083 0.00 0.00 +0.129 A ATOM 37 F LIG 1 -6.195 2.173 2.687 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 6