REMARK Name = BDB022210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -0.957 -0.129 0.520 0.00 0.00 +0.042 A ATOM 2 C UNK A 0 0.469 -0.557 0.461 0.00 0.00 +0.021 A ATOM 3 C UNK A 0 0.799 -1.925 0.463 0.00 0.00 +0.054 A ATOM 4 C UNK A 0 2.148 -2.301 0.373 0.00 0.00 +0.028 A ATOM 5 C UNK A 0 3.164 -1.342 0.305 0.00 0.00 +0.025 A ATOM 6 C UNK A 0 2.865 0.017 0.346 0.00 0.00 +0.032 A ATOM 7 N UNK A 0 -0.235 -2.901 0.579 0.00 0.00 -0.311 N ATOM 8 C UNK A 0 0.091 -4.317 0.601 0.00 0.00 +0.152 C ATOM 9 C UNK A 0 -1.562 -2.535 0.719 0.00 0.00 +0.253 A ATOM 10 O UNK A 0 -2.494 -3.325 0.864 0.00 0.00 -0.268 OA ATOM 11 C UNK A 0 1.516 0.390 0.422 0.00 0.00 +0.035 A ATOM 12 C UNK A 0 -1.875 -1.092 0.667 0.00 0.00 +0.093 A ENDROOT BRANCH 1 13 ATOM 13 N GLY A 1 -1.214 1.239 0.397 0.00 0.00 -0.332 N ATOM 14 H GLY A 1 -0.691 1.604 -0.403 0.00 0.00 +0.147 HD BRANCH 13 16 ATOM 15 CB GLY A 1 -3.140 1.844 1.841 0.00 0.00 +0.038 C ATOM 16 CA GLY A 1 -2.518 1.930 0.453 0.00 0.00 +0.154 C BRANCH 16 17 ATOM 17 C GLY A 1 -3.404 1.543 -0.756 0.00 0.00 +0.233 C ATOM 18 N GLY A 1 -4.608 0.935 -0.487 0.00 0.00 -0.312 N ATOM 19 H GLY A 1 -5.007 0.973 0.444 0.00 0.00 +0.149 HD ATOM 20 O GLY A 1 -3.018 1.740 -1.911 0.00 0.00 -0.274 OA BRANCH 18 21 ATOM 21 CA GLY A 1 -5.523 0.568 -1.553 0.00 0.00 +0.132 C BRANCH 21 22 ATOM 22 C GLY A 1 -6.661 -0.295 -1.016 0.00 0.00 +0.174 C BRANCH 22 23 ATOM 23 O GLY A 1 -7.369 0.417 0.001 0.00 0.00 -0.393 OA ATOM 24 H GLY A 1 -7.859 1.134 -0.438 0.00 0.00 +0.209 HD ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 1 13 BRANCH 6 25 ATOM 25 N UNK A 0 3.845 1.025 0.262 0.00 0.00 -0.313 N ATOM 26 H UNK A 0 3.570 1.880 0.742 0.00 0.00 +0.152 HD BRANCH 25 27 ATOM 27 C UNK A 0 5.147 1.023 -0.289 0.00 0.00 +0.053 A ATOM 28 C UNK A 0 6.170 1.827 0.247 0.00 0.00 +0.110 A ATOM 29 C UNK A 0 7.436 1.740 -0.318 0.00 0.00 +0.148 A ATOM 30 CL UNK A 0 8.782 2.665 0.234 0.00 0.00 -0.061 Cl ATOM 31 N UNK A 0 7.757 0.931 -1.353 0.00 0.00 -0.242 NA ATOM 32 C UNK A 0 6.767 0.170 -1.853 0.00 0.00 +0.114 A ATOM 33 C UNK A 0 5.473 0.179 -1.359 0.00 0.00 +0.044 A BRANCH 28 34 ATOM 34 C UNK A 0 5.919 2.709 1.342 0.00 0.00 +0.104 C ATOM 35 N UNK A 0 5.657 3.422 2.219 0.00 0.00 -0.191 NA ENDBRANCH 28 34 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 9