REMARK Name = BDB055254 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.386 -2.899 -1.012 0.00 0.00 +0.090 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.220 -1.248 -1.440 0.00 0.00 +0.224 C ATOM 3 N LIG 1 -1.760 -2.395 -0.825 0.00 0.00 -0.310 N ATOM 4 H LIG 1 -2.415 -3.099 -0.500 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -1.468 -0.469 -2.019 0.00 0.00 -0.275 OA BRANCH 2 6 ATOM 6 C LIG 1 -3.731 -1.032 -1.313 0.00 0.00 +0.147 C BRANCH 6 10 ATOM 7 C LIG 1 -4.500 3.555 0.279 0.00 0.00 +0.087 A ATOM 8 C LIG 1 -4.388 2.479 -0.665 0.00 0.00 +0.183 A ATOM 9 N LIG 1 -3.981 1.252 -0.224 0.00 0.00 -0.282 N ATOM 10 C LIG 1 -4.022 0.436 -1.332 0.00 0.00 +0.150 A ATOM 11 N LIG 1 -4.412 1.157 -2.372 0.00 0.00 -0.133 NA ATOM 12 C LIG 1 -3.676 1.059 1.111 0.00 0.00 +0.122 A ATOM 13 C LIG 1 -3.806 2.106 1.955 0.00 0.00 +0.088 A ATOM 14 N LIG 1 -4.641 2.449 -1.951 0.00 0.00 -0.128 NA ATOM 15 N LIG 1 -4.238 3.364 1.549 0.00 0.00 -0.246 NA BRANCH 13 16 ATOM 16 C LIG 1 -3.511 1.915 3.392 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.472 2.286 4.348 0.00 0.00 +0.010 A ATOM 18 C LIG 1 -4.223 2.099 5.710 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -3.006 1.557 6.131 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -2.030 1.223 5.192 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -2.278 1.403 3.828 0.00 0.00 +0.010 A ENDBRANCH 13 16 BRANCH 7 22 ATOM 22 C LIG 1 -4.931 4.923 -0.202 0.00 0.00 +0.062 C BRANCH 22 24 ATOM 23 C LIG 1 -2.667 5.608 -1.125 0.00 0.00 +0.007 C ATOM 24 C LIG 1 -3.784 5.941 -0.134 0.00 0.00 -0.011 C ATOM 25 C LIG 1 -4.315 7.350 -0.402 0.00 0.00 +0.007 C ENDBRANCH 22 24 ENDBRANCH 7 22 ENDBRANCH 6 10 BRANCH 6 26 ATOM 26 C LIG 1 -4.482 -1.760 -2.446 0.00 0.00 +0.057 C BRANCH 26 27 ATOM 27 C LIG 1 -4.589 -3.248 -2.229 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -5.309 -3.773 -1.159 0.00 0.00 +0.114 A ATOM 29 N LIG 1 -5.388 -5.090 -0.868 0.00 0.00 -0.263 NA ATOM 30 C LIG 1 -4.744 -5.934 -1.704 0.00 0.00 +0.111 A ATOM 31 C LIG 1 -4.032 -5.520 -2.819 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -3.960 -4.156 -3.084 0.00 0.00 +0.006 A ENDBRANCH 26 27 ENDBRANCH 6 26 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 33 ATOM 33 C LIG 1 0.184 -3.386 0.360 0.00 0.00 +0.080 C BRANCH 33 34 ATOM 34 N LIG 1 -0.864 -4.081 1.147 0.00 0.00 -0.325 NA ATOM 35 H LIG 1 -0.432 -4.526 1.956 0.00 0.00 +0.119 HD ATOM 36 H LIG 1 -1.513 -3.390 1.526 0.00 0.00 +0.119 HD ENDBRANCH 33 34 BRANCH 33 37 ATOM 37 C LIG 1 0.753 -2.204 1.166 0.00 0.00 +0.116 C BRANCH 37 38 ATOM 38 C LIG 1 2.018 -1.661 0.526 0.00 0.00 +0.215 C ATOM 39 N LIG 1 2.392 -0.429 1.005 0.00 0.00 -0.304 N ATOM 40 H LIG 1 1.729 0.126 1.540 0.00 0.00 +0.149 HD ATOM 41 O LIG 1 2.660 -2.276 -0.320 0.00 0.00 -0.276 OA BRANCH 39 42 ATOM 42 C LIG 1 3.491 0.318 0.404 0.00 0.00 +0.159 C BRANCH 42 43 ATOM 43 C LIG 1 3.202 1.821 0.572 0.00 0.00 +0.234 C ATOM 44 N LIG 1 3.976 2.654 -0.198 0.00 0.00 -0.308 N ATOM 45 H LIG 1 4.818 2.295 -0.624 0.00 0.00 +0.149 HD ATOM 46 O LIG 1 2.321 2.228 1.333 0.00 0.00 -0.274 OA BRANCH 44 47 ATOM 47 C LIG 1 3.910 4.097 -0.080 0.00 0.00 +0.159 C BRANCH 47 48 ATOM 48 C LIG 1 5.129 4.627 0.640 0.00 0.00 +0.058 A ATOM 49 N LIG 1 6.326 4.474 0.008 0.00 0.00 -0.258 NA ATOM 50 C LIG 1 7.424 4.939 0.641 0.00 0.00 +0.111 A ATOM 51 C LIG 1 7.396 5.538 1.890 0.00 0.00 +0.020 A ATOM 52 C LIG 1 6.169 5.663 2.535 0.00 0.00 +0.003 A ATOM 53 C LIG 1 5.016 5.204 1.903 0.00 0.00 +0.025 A ENDBRANCH 47 48 ENDBRANCH 44 47 ENDBRANCH 42 43 BRANCH 42 54 ATOM 54 C LIG 1 4.879 -0.129 0.894 0.00 0.00 +0.034 C BRANCH 54 55 ATOM 55 C LIG 1 5.224 -0.061 2.399 0.00 0.00 -0.015 C ATOM 56 C LIG 1 4.367 -0.979 3.274 0.00 0.00 +0.007 C ATOM 57 C LIG 1 5.255 1.355 2.967 0.00 0.00 +0.007 C ENDBRANCH 54 55 ENDBRANCH 42 54 ENDBRANCH 39 42 ENDBRANCH 37 38 ENDBRANCH 33 37 ENDBRANCH 1 33 BRANCH 1 58 ATOM 58 C LIG 1 -0.423 -4.024 -2.071 0.00 0.00 +0.027 C BRANCH 58 59 ATOM 59 C LIG 1 0.952 -4.449 -2.623 0.00 0.00 -0.009 C ATOM 60 C LIG 1 1.565 -3.393 -3.554 0.00 0.00 +0.003 C ATOM 61 C LIG 1 2.965 -3.789 -4.032 0.00 0.00 +0.000 C ATOM 62 C LIG 1 3.219 -5.296 -4.029 0.00 0.00 +0.000 C ATOM 63 C LIG 1 1.953 -6.074 -4.358 0.00 0.00 +0.000 C ATOM 64 C LIG 1 0.820 -5.795 -3.364 0.00 0.00 +0.003 C ENDBRANCH 58 59 ENDBRANCH 1 58 TORSDOF 20