REMARK Name = BDB054854 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.504 -1.007 -1.969 0.00 0.00 +0.094 A ATOM 2 N LIG 1 2.018 -0.192 -2.923 0.00 0.00 -0.172 NA ATOM 3 N LIG 1 0.734 0.004 -2.581 0.00 0.00 -0.263 N ATOM 4 H LIG 1 0.139 0.592 -3.161 0.00 0.00 +0.190 HD ATOM 5 C LIG 1 0.362 -0.651 -1.440 0.00 0.00 +0.121 A ATOM 6 C LIG 1 1.486 -1.319 -1.019 0.00 0.00 +0.073 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 6.594 -2.333 -2.052 0.00 0.00 -0.030 A ATOM 8 C LIG 1 5.795 -2.562 -0.925 0.00 0.00 +0.006 A ATOM 9 C LIG 1 4.463 -2.134 -0.894 0.00 0.00 +0.010 A ATOM 10 C LIG 1 3.900 -1.462 -1.987 0.00 0.00 +0.002 A ATOM 11 C LIG 1 4.709 -1.226 -3.109 0.00 0.00 +0.010 A ATOM 12 C LIG 1 6.041 -1.653 -3.143 0.00 0.00 +0.006 A BRANCH 7 13 ATOM 13 C LIG 1 8.036 -2.768 -2.066 0.00 0.00 +0.142 C BRANCH 13 15 ATOM 14 C LIG 1 9.250 -1.816 -0.156 0.00 0.00 +0.401 C ATOM 15 N LIG 1 8.877 -1.767 -1.462 0.00 0.00 -0.277 N ATOM 16 H LIG 1 9.002 -0.880 -1.926 0.00 0.00 +0.152 HD ATOM 17 O LIG 1 9.043 -2.745 0.610 0.00 0.00 -0.226 OA BRANCH 14 18 ATOM 18 O LIG 1 9.876 -0.662 0.167 0.00 0.00 -0.444 OA BRANCH 18 19 ATOM 19 C LIG 1 10.316 -0.615 1.534 0.00 0.00 +0.292 C BRANCH 19 24 ATOM 20 C LIG 1 11.541 4.324 2.014 0.00 0.00 +0.089 C ATOM 21 C LIG 1 11.370 2.862 2.022 0.00 0.00 +0.135 A ATOM 22 O LIG 1 12.242 2.156 2.791 0.00 0.00 -0.360 OA ATOM 23 N LIG 1 11.954 0.807 2.696 0.00 0.00 -0.080 NA ATOM 24 C LIG 1 10.909 0.714 1.862 0.00 0.00 +0.121 A ATOM 25 C LIG 1 10.500 1.993 1.413 0.00 0.00 +0.074 A ENDBRANCH 19 24 ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 1 10 BRANCH 5 26 ATOM 26 N LIG 1 -0.903 -0.605 -0.888 0.00 0.00 -0.267 N ATOM 27 H LIG 1 -1.076 -1.162 -0.062 0.00 0.00 +0.157 HD ATOM 28 C LIG 1 -1.928 0.109 -1.487 0.00 0.00 +0.249 C ATOM 29 O LIG 1 -1.827 0.721 -2.548 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -3.237 0.083 -0.777 0.00 0.00 +0.037 A ATOM 31 C LIG 1 -3.327 0.002 0.616 0.00 0.00 +0.016 A ATOM 32 C LIG 1 -4.583 -0.016 1.230 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -5.754 0.056 0.471 0.00 0.00 +0.121 A ATOM 34 C LIG 1 -5.663 0.153 -0.918 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -4.409 0.172 -1.539 0.00 0.00 +0.016 A BRANCH 33 36 ATOM 36 O LIG 1 -6.909 0.029 1.202 0.00 0.00 -0.491 OA BRANCH 36 37 ATOM 37 C LIG 1 -8.141 0.124 0.479 0.00 0.00 +0.244 C BRANCH 37 38 ATOM 38 C LIG 1 -9.294 0.065 1.496 0.00 0.00 +0.125 C BRANCH 38 39 ATOM 39 N LIG 1 -10.634 0.081 0.885 0.00 0.00 -0.295 NA ATOM 40 C LIG 1 -10.897 1.344 0.158 0.00 0.00 +0.112 C ATOM 41 C LIG 1 -12.399 1.647 0.050 0.00 0.00 +0.175 C ATOM 42 O LIG 1 -13.011 1.859 1.329 0.00 0.00 -0.377 OA ATOM 43 C LIG 1 -12.383 1.115 2.382 0.00 0.00 +0.175 C ATOM 44 C LIG 1 -11.693 -0.167 1.890 0.00 0.00 +0.112 C ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 5 26 TORSDOF 12