REMARK Name = BDB022225 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -1.169 1.539 0.013 0.00 0.00 +0.134 A ATOM 2 C UNK A 0 0.156 1.288 -0.631 0.00 0.00 +0.040 A ATOM 3 C UNK A 0 0.696 2.341 -1.358 0.00 0.00 +0.054 A ATOM 4 C UNK A 0 1.935 2.214 -1.978 0.00 0.00 +0.028 A ATOM 5 C UNK A 0 2.628 1.005 -1.881 0.00 0.00 +0.025 A ATOM 6 C UNK A 0 2.092 -0.083 -1.174 0.00 0.00 +0.032 A ATOM 7 N UNK A 0 -0.031 3.515 -1.477 0.00 0.00 -0.306 N ATOM 8 H UNK A 0 0.304 4.301 -2.015 0.00 0.00 +0.170 HD ATOM 9 C UNK A 0 -1.274 3.671 -0.930 0.00 0.00 +0.348 A ATOM 10 O UNK A 0 -1.874 4.724 -1.125 0.00 0.00 -0.245 OA ATOM 11 C UNK A 0 0.844 0.070 -0.556 0.00 0.00 +0.036 A ATOM 12 N UNK A 0 -1.806 2.656 -0.178 0.00 0.00 -0.178 NA ENDROOT BRANCH 1 13 ATOM 13 N ALA A 1 -1.710 0.553 0.823 0.00 0.00 -0.324 N ATOM 14 H ALA A 1 -1.035 -0.061 1.266 0.00 0.00 +0.148 HD BRANCH 13 16 ATOM 15 CB ALA A 1 -2.684 1.644 2.811 0.00 0.00 +0.030 C ATOM 16 CA ALA A 1 -2.920 0.682 1.651 0.00 0.00 +0.094 C BRANCH 16 17 ATOM 17 C ALA A 1 -4.188 0.994 0.831 0.00 0.00 +0.177 C BRANCH 17 18 ATOM 18 O ALA A 1 -4.388 2.381 0.596 0.00 0.00 -0.393 OA ATOM 19 H ALA A 1 -3.543 2.716 0.221 0.00 0.00 +0.209 HD ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 1 13 BRANCH 6 20 ATOM 20 N UNK A 0 2.803 -1.299 -1.166 0.00 0.00 -0.313 N ATOM 21 H UNK A 0 3.810 -1.173 -1.259 0.00 0.00 +0.152 HD BRANCH 20 22 ATOM 22 C UNK A 0 2.368 -2.640 -1.057 0.00 0.00 +0.053 A ATOM 23 C UNK A 0 3.186 -3.628 -0.474 0.00 0.00 +0.110 A ATOM 24 C UNK A 0 2.676 -4.914 -0.354 0.00 0.00 +0.148 A ATOM 25 CL UNK A 0 3.562 -6.218 0.341 0.00 0.00 -0.061 Cl ATOM 26 N UNK A 0 1.441 -5.286 -0.758 0.00 0.00 -0.242 NA ATOM 27 C UNK A 0 0.674 -4.331 -1.315 0.00 0.00 +0.114 A ATOM 28 C UNK A 0 1.085 -3.018 -1.476 0.00 0.00 +0.044 A BRANCH 23 29 ATOM 29 C UNK A 0 4.501 -3.316 -0.014 0.00 0.00 +0.104 C ATOM 30 N UNK A 0 5.567 -3.007 0.325 0.00 0.00 -0.191 NA ENDBRANCH 23 29 ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 7