REMARK Name = BDB026995 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.953 -1.818 0.404 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.590 -3.296 0.377 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.799 -4.086 1.520 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.471 -5.443 1.518 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.059 -6.031 0.372 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.252 -5.267 -0.776 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.076 -3.909 -0.778 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.266 -1.625 -0.263 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -2.099 -1.664 -1.272 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -2.873 -0.333 0.074 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 -4.197 -0.156 -0.680 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 -6.044 3.625 0.293 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -6.377 2.475 1.014 0.00 0.00 +0.019 A ATOM 14 C LIG 1 -5.783 1.251 0.696 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -4.854 1.164 -0.349 0.00 0.00 -0.046 A ATOM 16 C LIG 1 -4.520 2.321 -1.065 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -5.113 3.545 -0.747 0.00 0.00 +0.019 A BRANCH 12 19 ATOM 18 N LIG 1 -7.144 5.898 0.885 0.00 0.00 -0.191 NA ATOM 19 C LIG 1 -6.653 4.881 0.619 0.00 0.00 +0.099 C ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 0.148 -0.945 -0.264 0.00 0.00 +0.188 C ATOM 21 O LIG 1 -0.004 -0.508 -1.409 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 1.364 -0.661 0.496 0.00 0.00 +0.064 A ATOM 23 C LIG 1 2.420 0.147 0.112 0.00 0.00 +0.077 A ATOM 24 N LIG 1 3.357 0.131 1.144 0.00 0.00 -0.239 N ATOM 25 C LIG 1 4.550 0.849 1.086 0.00 0.00 +0.121 A ATOM 26 C LIG 1 4.862 1.608 0.014 0.00 0.00 +0.003 A ATOM 27 C LIG 1 3.882 1.623 -1.081 0.00 0.00 +0.012 A ATOM 28 N LIG 1 2.934 -0.654 2.167 0.00 0.00 -0.174 NA ATOM 29 C LIG 1 2.727 0.933 -1.034 0.00 0.00 +0.029 A ATOM 30 C LIG 1 1.756 -1.130 1.767 0.00 0.00 +0.146 A BRANCH 26 31 ATOM 31 C LIG 1 6.078 2.365 -0.074 0.00 0.00 +0.021 A ATOM 32 C LIG 1 7.244 2.143 0.628 0.00 0.00 +0.113 A ATOM 33 N LIG 1 8.127 3.101 0.219 0.00 0.00 -0.284 N ATOM 34 H LIG 1 9.085 3.243 0.521 0.00 0.00 +0.188 HD ATOM 35 N LIG 1 7.620 3.937 -0.701 0.00 0.00 -0.182 NA ATOM 36 C LIG 1 6.373 3.490 -0.878 0.00 0.00 +0.142 A ENDBRANCH 26 31 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 9