REMARK Name = BDB048042 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 3.230 -0.564 2.101 0.00 0.00 +0.192 C ENDROOT BRANCH 1 3 ATOM 2 N UNK A 1 5.435 -0.315 1.052 0.00 0.00 -0.203 NA ATOM 3 C UNK A 1 4.276 -1.029 0.994 0.00 0.00 +0.255 C ATOM 4 O UNK A 1 4.047 -1.986 0.249 0.00 0.00 -0.272 OA BRANCH 2 5 ATOM 5 C UNK A 1 6.597 -0.860 0.257 0.00 0.00 +0.192 C BRANCH 5 7 ATOM 6 N UNK A 1 9.057 -0.926 0.350 0.00 0.00 -0.198 NA ATOM 7 C UNK A 1 7.973 -0.154 0.642 0.00 0.00 +0.256 C ATOM 8 O UNK A 1 8.038 1.007 1.056 0.00 0.00 -0.272 OA BRANCH 6 9 ATOM 9 C UNK A 1 10.362 -0.299 0.704 0.00 0.00 +0.246 C BRANCH 9 10 ATOM 10 C UNK A 1 11.523 -1.232 0.415 0.00 0.00 +0.209 C ATOM 11 O UNK A 1 12.682 -2.027 0.164 0.00 0.00 -0.218 OA ENDBRANCH 9 10 BRANCH 9 12 ATOM 12 C UNK A 1 10.630 1.038 -0.013 0.00 0.00 +0.334 C ATOM 13 O UNK A 1 11.336 1.949 0.449 0.00 0.00 -0.249 OA BRANCH 12 15 ATOM 14 C UNK A 1 10.408 2.096 -2.164 0.00 0.00 +0.256 C ATOM 15 O UNK A 1 10.082 1.016 -1.274 0.00 0.00 -0.443 OA ENDBRANCH 12 15 ENDBRANCH 9 12 ENDBRANCH 6 9 ENDBRANCH 5 7 BRANCH 5 16 ATOM 16 C UNK A 1 6.357 -0.581 -1.180 0.00 0.00 +0.025 C BRANCH 16 17 ATOM 17 C UNK A 1 5.933 -0.048 -2.557 0.00 0.00 +0.004 C BRANCH 17 18 ATOM 18 C UNK A 1 5.232 0.863 -3.567 0.00 0.00 +0.026 C BRANCH 18 19 ATOM 19 C UNK A 1 4.362 2.096 -3.811 0.00 0.00 +0.129 C BRANCH 19 20 ATOM 20 N UNK A 1 3.584 3.241 -3.334 0.00 0.00 -0.239 NA BRANCH 20 21 ATOM 21 C UNK A 1 3.637 3.107 -1.757 0.00 0.00 +0.202 C ATOM 22 N UNK A 1 2.532 2.583 -1.159 0.00 0.00 -0.316 N ATOM 23 C UNK A 1 2.282 2.669 0.285 0.00 0.00 +0.128 C ATOM 24 C UNK A 1 1.360 2.123 -1.947 0.00 0.00 +0.128 C BRANCH 21 25 ATOM 25 N UNK A 1 4.770 3.578 -1.158 0.00 0.00 -0.316 N ATOM 26 C UNK A 1 5.038 3.584 0.294 0.00 0.00 +0.128 C ATOM 27 C UNK A 1 5.827 4.308 -1.922 0.00 0.00 +0.128 C ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 5 16 ENDBRANCH 2 5 ENDBRANCH 1 3 BRANCH 1 28 ATOM 28 N UNK A 1 1.784 -0.587 1.665 0.00 0.00 -0.203 NA ATOM 29 C UNK A 1 0.873 -0.149 2.595 0.00 0.00 +0.255 C ATOM 30 O UNK A 1 1.118 0.033 3.797 0.00 0.00 -0.272 OA BRANCH 29 31 ATOM 31 C UNK A 1 -0.609 0.174 1.964 0.00 0.00 +0.193 C ATOM 32 C UNK A 1 -0.741 1.773 1.812 0.00 0.00 +0.027 C BRANCH 31 33 ATOM 33 N UNK A 1 -1.692 -0.365 2.847 0.00 0.00 -0.203 NA ATOM 34 C UNK A 1 -2.979 -0.189 2.437 0.00 0.00 +0.256 C ATOM 35 O UNK A 1 -3.720 0.677 2.915 0.00 0.00 -0.272 OA BRANCH 34 36 ATOM 36 C UNK A 1 -3.506 -1.272 1.421 0.00 0.00 +0.197 C BRANCH 36 37 ATOM 37 N UNK A 1 -4.866 -1.870 1.679 0.00 0.00 -0.202 NA ATOM 38 C UNK A 0 -5.968 -1.298 1.179 0.00 0.00 +0.264 C ATOM 39 O UNK A 0 -6.152 -0.181 0.707 0.00 0.00 -0.271 OA BRANCH 38 40 ATOM 40 C UNK A 0 -7.152 -2.197 1.157 0.00 0.00 +0.202 C BRANCH 40 41 ATOM 41 N UNK A 0 -8.361 -3.082 1.025 0.00 0.00 -0.192 NA ATOM 42 C UNK A 0 -9.560 -2.482 0.976 0.00 0.00 +0.264 C ATOM 43 O UNK A 0 -10.600 -2.984 1.426 0.00 0.00 -0.268 OA BRANCH 42 44 ATOM 44 C UNK A 0 -9.749 -1.182 0.242 0.00 0.00 +0.038 A ATOM 45 C UNK A 0 -10.829 -0.366 0.615 0.00 0.00 +0.013 A ATOM 46 C UNK A 0 -11.091 0.832 -0.056 0.00 0.00 +0.001 A ATOM 47 C UNK A 0 -10.275 1.229 -1.113 0.00 0.00 +0.000 A ATOM 48 C UNK A 0 -9.206 0.422 -1.502 0.00 0.00 +0.001 A ATOM 49 C UNK A 0 -8.956 -0.782 -0.838 0.00 0.00 +0.013 A ENDBRANCH 42 44 ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 36 37 BRANCH 36 50 ATOM 50 C UNK A 1 -3.330 -0.850 0.008 0.00 0.00 +0.050 C BRANCH 50 51 ATOM 51 C UNK A 1 -3.146 -0.452 -1.352 0.00 0.00 -0.037 A ATOM 52 C UNK A 1 -1.869 -0.416 -1.909 0.00 0.00 +0.004 A ATOM 53 C UNK A 1 -1.687 0.002 -3.230 0.00 0.00 +0.000 A ATOM 54 C UNK A 1 -2.788 0.378 -4.000 0.00 0.00 +0.000 A ATOM 55 C UNK A 1 -4.069 0.333 -3.447 0.00 0.00 +0.000 A ATOM 56 C UNK A 1 -4.247 -0.087 -2.126 0.00 0.00 +0.004 A ENDBRANCH 50 51 ENDBRANCH 36 50 ENDBRANCH 34 36 ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 1 28 BRANCH 1 57 ATOM 57 C UNK A 1 3.419 -1.469 3.250 0.00 0.00 +0.025 C BRANCH 57 58 ATOM 58 C UNK A 1 3.543 -2.257 4.390 0.00 0.00 +0.002 C ATOM 59 C UNK A 1 3.377 -3.811 4.385 0.00 0.00 +0.000 C ATOM 60 C UNK A 1 4.186 -1.708 5.707 0.00 0.00 +0.000 C ENDBRANCH 57 58 ENDBRANCH 1 57 TORSDOF 26