REMARK Name = BDB046868 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 1.135 4.025 0.484 0.00 0.00 +0.074 C ENDROOT BRANCH 1 2 ATOM 2 C UNK A 1 2.438 3.265 0.769 0.00 0.00 +0.185 C BRANCH 2 3 ATOM 3 N UNK A 1 2.557 2.028 0.002 0.00 0.00 -0.302 N ATOM 4 H UNK A 1 1.872 1.308 0.219 0.00 0.00 +0.150 HD ATOM 5 C UNK A 0 3.805 1.564 -0.367 0.00 0.00 +0.217 C ATOM 6 O UNK A 0 4.823 2.230 -0.229 0.00 0.00 -0.276 OA BRANCH 5 7 ATOM 7 C UNK A 0 3.767 0.165 -0.940 0.00 0.00 +0.142 C BRANCH 7 8 ATOM 8 C UNK A 0 5.103 -0.366 -1.482 0.00 0.00 +0.178 C BRANCH 8 9 ATOM 9 O UNK A 0 4.764 -1.639 -2.076 0.00 0.00 -0.377 OA ATOM 10 H UNK A 0 5.585 -1.974 -2.499 0.00 0.00 +0.211 HD ENDBRANCH 8 9 BRANCH 8 11 ATOM 11 C UNK A 0 5.606 0.597 -2.576 0.00 0.00 +0.338 C ATOM 12 O UNK A 0 5.062 0.799 -3.653 0.00 0.00 -0.248 OA BRANCH 11 13 ATOM 13 O UNK A 0 6.740 1.256 -2.272 0.00 0.00 -0.479 OA ATOM 14 H UNK A 0 6.909 1.812 -3.061 0.00 0.00 +0.295 HD ENDBRANCH 11 13 ENDBRANCH 8 11 BRANCH 8 15 ATOM 15 C UNK A 0 6.120 -0.614 -0.355 0.00 0.00 +0.142 C BRANCH 15 16 ATOM 16 C UNK A 0 7.391 -1.255 -0.877 0.00 0.00 +0.217 C ATOM 17 N UNK A 1 8.435 -1.224 0.022 0.00 0.00 -0.302 N ATOM 18 H UNK A 1 8.178 -1.118 0.999 0.00 0.00 +0.150 HD ATOM 19 O UNK A 0 7.465 -1.786 -1.982 0.00 0.00 -0.276 OA BRANCH 17 20 ATOM 20 C UNK A 1 9.668 -1.979 -0.246 0.00 0.00 +0.192 C BRANCH 20 21 ATOM 21 C UNK A 1 9.469 -3.382 0.327 0.00 0.00 +0.326 C ATOM 22 O UNK A 1 8.745 -3.679 1.266 0.00 0.00 -0.249 OA BRANCH 21 23 ATOM 23 O UNK A 1 10.228 -4.317 -0.276 0.00 0.00 -0.479 OA ATOM 24 H UNK A 1 9.987 -5.155 0.173 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 20 21 BRANCH 20 25 ATOM 25 C UNK A 1 10.852 -1.320 0.442 0.00 0.00 +0.154 C BRANCH 25 26 ATOM 26 C UNK A 1 12.130 -1.872 -0.114 0.00 0.00 +0.307 C ATOM 27 O UNK A 1 12.541 -1.733 -1.252 0.00 0.00 -0.251 OA BRANCH 26 28 ATOM 28 O UNK A 1 12.828 -2.580 0.792 0.00 0.00 -0.481 OA ATOM 29 H UNK A 1 13.617 -2.890 0.298 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 17 20 ENDBRANCH 15 16 ENDBRANCH 8 15 ENDBRANCH 7 8 ENDBRANCH 5 7 ENDBRANCH 2 3 BRANCH 2 30 ATOM 30 C UNK A 1 2.587 2.951 2.267 0.00 0.00 +0.325 C ATOM 31 O UNK A 1 2.224 1.903 2.788 0.00 0.00 -0.249 OA BRANCH 30 32 ATOM 32 O UNK A 1 3.138 3.954 2.989 0.00 0.00 -0.479 OA ATOM 33 H UNK A 1 3.455 4.711 2.461 0.00 0.00 +0.295 HD ENDBRANCH 30 32 ENDBRANCH 2 30 ENDBRANCH 1 2 BRANCH 1 34 ATOM 34 C UNK A 1 -0.126 3.165 0.374 0.00 0.00 +0.231 C BRANCH 34 35 ATOM 35 O UNK A 1 -0.219 2.304 1.506 0.00 0.00 -0.488 OA BRANCH 35 38 ATOM 36 C UNK A 1 -3.125 0.190 0.591 0.00 0.00 -0.019 A ATOM 37 C UNK A 1 -2.279 1.308 0.643 0.00 0.00 +0.057 A ATOM 38 C UNK A 1 -1.095 1.260 1.385 0.00 0.00 +0.162 A ATOM 39 C UNK A 1 -0.781 0.094 2.088 0.00 0.00 +0.158 A ATOM 40 C UNK A 1 -1.612 -1.021 2.038 0.00 0.00 +0.050 A ATOM 41 C UNK A 1 -2.785 -0.976 1.287 0.00 0.00 +0.012 A BRANCH 36 48 ATOM 42 CA ARG A 2 -8.240 0.318 1.387 0.00 0.00 +0.160 C ATOM 43 C ARG A 2 -7.047 0.632 2.302 0.00 0.00 +0.238 C ATOM 44 O ARG A 2 -7.158 0.777 3.518 0.00 0.00 -0.273 OA ATOM 45 N UNK A 1 -5.808 0.549 1.714 0.00 0.00 -0.280 N ATOM 46 H UNK A 1 -5.017 0.631 2.342 0.00 0.00 +0.155 HD ATOM 47 C UNK A 1 -5.593 0.408 0.360 0.00 0.00 +0.096 C ATOM 48 C UNK A 1 -4.370 0.259 -0.177 0.00 0.00 +0.036 C ATOM 49 C UNK A 1 -6.766 0.485 -0.583 0.00 0.00 +0.259 C ATOM 50 O UNK A 1 -6.675 0.375 -1.800 0.00 0.00 -0.269 OA ATOM 51 N ARG A 2 -7.967 0.740 0.022 0.00 0.00 -0.299 N ATOM 52 H ARG A 2 -8.755 0.763 -0.628 0.00 0.00 +0.150 HD BRANCH 42 53 ATOM 53 CB ARG A 2 -8.575 -1.182 1.493 0.00 0.00 +0.033 C BRANCH 53 54 ATOM 54 CG ARG A 2 -9.803 -1.588 0.667 0.00 0.00 +0.023 C BRANCH 54 55 ATOM 55 CD ARG A 2 -9.438 -2.091 -0.734 0.00 0.00 +0.115 C BRANCH 55 56 ATOM 56 NE ARG A 2 -10.506 -1.805 -1.674 0.00 0.00 -0.356 N ATOM 57 HE ARG A 2 -11.311 -2.409 -1.561 0.00 0.00 +0.162 HD BRANCH 56 60 ATOM 58 NH1 ARG A 2 -11.913 -0.258 -2.689 0.00 0.00 -0.269 NA ATOM 59 HH1 ARG A 2 -12.562 -1.041 -2.605 0.00 0.00 +0.190 HD ATOM 60 CZ ARG A 2 -10.769 -0.596 -2.213 0.00 0.00 +0.188 C BRANCH 60 61 ATOM 61 NH2 ARG A 2 -9.765 0.300 -2.240 0.00 0.00 -0.370 N ATOM 62 HH21 ARG A 2 -10.053 1.089 -2.814 0.00 0.00 +0.159 HD ATOM 63 HH22 ARG A 2 -8.901 -0.082 -2.623 0.00 0.00 +0.159 HD ENDBRANCH 60 61 ENDBRANCH 56 60 ENDBRANCH 55 56 ENDBRANCH 54 55 ENDBRANCH 53 54 ENDBRANCH 42 53 ENDBRANCH 36 48 BRANCH 39 64 ATOM 64 O UNK A 1 0.355 -0.017 2.837 0.00 0.00 -0.503 OA ATOM 65 H UNK A 1 0.828 0.846 2.834 0.00 0.00 +0.292 HD ENDBRANCH 39 64 ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 28