REMARK Name = BDB055507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -3.110 0.666 -2.354 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -4.440 0.394 -3.067 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -5.266 -0.454 -2.766 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -4.664 1.213 -4.117 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -5.547 0.936 -4.445 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.101 -0.057 -1.059 0.00 0.00 -0.330 N ATOM 7 H LIG 1 -3.978 -0.578 -0.907 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -2.554 0.436 0.125 0.00 0.00 +0.053 A ATOM 9 C LIG 1 -2.555 -0.336 1.306 0.00 0.00 +0.114 A ATOM 10 C LIG 1 -1.973 0.121 2.502 0.00 0.00 +0.029 A ATOM 11 C LIG 1 -1.324 1.348 2.530 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -1.258 2.108 1.372 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -1.861 1.654 0.192 0.00 0.00 +0.025 A BRANCH 9 14 ATOM 14 S LIG 1 -3.260 -1.972 1.312 0.00 0.00 +0.027 S ATOM 15 O LIG 1 -3.143 -2.516 2.656 0.00 0.00 -0.164 OA ATOM 16 O LIG 1 -4.567 -1.867 0.683 0.00 0.00 -0.164 OA BRANCH 14 17 ATOM 17 C LIG 1 -2.228 -2.990 0.281 0.00 0.00 +0.094 A ATOM 18 C LIG 1 -2.751 -3.580 -0.872 0.00 0.00 +0.027 A ATOM 19 C LIG 1 -1.925 -4.371 -1.670 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -0.590 -4.572 -1.312 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -0.075 -3.986 -0.154 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -0.894 -3.192 0.648 0.00 0.00 +0.027 A ENDBRANCH 14 17 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 23 ATOM 23 C LIG 1 -1.984 0.159 -3.277 0.00 0.00 +0.068 C BRANCH 23 27 ATOM 24 C LIG 1 1.897 1.260 -1.751 0.00 0.00 +0.121 A ATOM 25 C LIG 1 1.382 -0.013 -1.515 0.00 0.00 +0.046 A ATOM 26 C LIG 1 0.144 -0.379 -2.039 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -0.595 0.525 -2.811 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -0.048 1.784 -3.091 0.00 0.00 +0.007 A ATOM 29 C LIG 1 1.197 2.148 -2.567 0.00 0.00 +0.046 A BRANCH 24 30 ATOM 30 O LIG 1 3.099 1.520 -1.156 0.00 0.00 -0.490 OA BRANCH 30 31 ATOM 31 C LIG 1 3.345 2.886 -0.813 0.00 0.00 +0.248 C BRANCH 31 32 ATOM 32 C LIG 1 4.309 2.947 0.385 0.00 0.00 +0.150 C BRANCH 32 34 ATOM 33 C LIG 1 2.897 3.962 2.185 0.00 0.00 +0.134 C ATOM 34 N LIG 1 3.626 2.812 1.678 0.00 0.00 -0.285 N BRANCH 34 35 ATOM 35 C LIG 1 3.205 1.593 2.098 0.00 0.00 +0.291 A ATOM 36 O LIG 1 3.792 0.489 1.536 0.00 0.00 -0.424 OA ATOM 37 C LIG 1 3.186 -0.563 2.152 0.00 0.00 +0.157 A ATOM 38 C LIG 1 2.279 -0.052 3.062 0.00 0.00 +0.111 A ATOM 39 C LIG 1 1.526 -0.941 3.840 0.00 0.00 +0.031 A ATOM 40 C LIG 1 1.728 -2.317 3.655 0.00 0.00 +0.002 A ATOM 41 C LIG 1 2.656 -2.793 2.719 0.00 0.00 +0.004 A ATOM 42 C LIG 1 3.416 -1.916 1.935 0.00 0.00 +0.048 A ATOM 43 N LIG 1 2.304 1.318 3.022 0.00 0.00 -0.195 NA ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 13