REMARK Name = BDB022220 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -1.753 0.210 -0.411 0.00 0.00 +0.042 A ATOM 2 C UNK A 0 -0.502 1.010 -0.540 0.00 0.00 +0.021 A ATOM 3 C UNK A 0 -0.537 2.277 -1.154 0.00 0.00 +0.054 A ATOM 4 C UNK A 0 0.643 3.032 -1.229 0.00 0.00 +0.028 A ATOM 5 C UNK A 0 1.852 2.532 -0.736 0.00 0.00 +0.025 A ATOM 6 C UNK A 0 1.920 1.263 -0.163 0.00 0.00 +0.032 A ATOM 7 N UNK A 0 -1.758 2.757 -1.716 0.00 0.00 -0.311 N ATOM 8 C UNK A 0 -1.805 4.056 -2.369 0.00 0.00 +0.152 C ATOM 9 C UNK A 0 -2.907 1.987 -1.715 0.00 0.00 +0.253 A ATOM 10 O UNK A 0 -3.973 2.317 -2.233 0.00 0.00 -0.268 OA ATOM 11 C UNK A 0 0.739 0.516 -0.080 0.00 0.00 +0.035 A ATOM 12 C UNK A 0 -2.850 0.689 -1.014 0.00 0.00 +0.093 A ENDROOT BRANCH 1 13 ATOM 13 N ALA A 1 -1.706 -0.974 0.322 0.00 0.00 -0.338 N ATOM 14 H ALA A 1 -1.042 -0.929 1.092 0.00 0.00 +0.146 HD BRANCH 13 16 ATOM 15 CB ALA A 1 -2.277 -3.254 0.936 0.00 0.00 +0.030 C ATOM 16 CA ALA A 1 -2.833 -1.862 0.624 0.00 0.00 +0.093 C BRANCH 16 17 ATOM 17 C ALA A 1 -3.663 -1.325 1.805 0.00 0.00 +0.177 C BRANCH 17 18 ATOM 18 O ALA A 1 -4.814 -2.128 2.048 0.00 0.00 -0.393 OA ATOM 19 H ALA A 1 -5.430 -1.989 1.307 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 3.172 0.767 0.248 0.00 0.00 -0.313 N ATOM 21 H UNK A 0 3.821 1.504 0.520 0.00 0.00 +0.152 HD BRANCH 20 22 ATOM 22 C UNK A 0 3.675 -0.552 0.345 0.00 0.00 +0.053 A ATOM 23 C UNK A 0 4.666 -0.886 1.287 0.00 0.00 +0.110 A ATOM 24 C UNK A 0 5.080 -2.210 1.361 0.00 0.00 +0.148 A ATOM 25 CL UNK A 0 6.283 -2.761 2.465 0.00 0.00 -0.061 Cl ATOM 26 N UNK A 0 4.592 -3.208 0.590 0.00 0.00 -0.242 NA ATOM 27 C UNK A 0 3.645 -2.870 -0.304 0.00 0.00 +0.114 A ATOM 28 C UNK A 0 3.162 -1.581 -0.456 0.00 0.00 +0.044 A BRANCH 23 29 ATOM 29 C UNK A 0 5.231 0.105 2.145 0.00 0.00 +0.104 C ATOM 30 N UNK A 0 5.669 0.955 2.803 0.00 0.00 -0.191 NA ENDBRANCH 23 29 ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 7