REMARK Name = BDB064200 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.712 -0.544 -0.422 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.404 -1.111 0.062 0.00 0.00 -0.227 NA ATOM 3 C LIG 1 -1.419 -0.294 0.376 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -1.359 1.094 0.217 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.463 1.882 0.604 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -3.617 1.285 1.120 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -3.714 -0.101 1.279 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -0.163 1.586 -0.320 0.00 0.00 +0.136 A ATOM 9 C LIG 1 -2.588 -0.852 0.893 0.00 0.00 +0.051 A ATOM 10 N LIG 1 0.839 0.761 -0.656 0.00 0.00 -0.212 NA ENDROOT BRANCH 1 16 ATOM 11 C LIG 1 4.289 -1.570 -1.275 0.00 0.00 +0.037 A ATOM 12 C LIG 1 4.178 -2.977 -1.259 0.00 0.00 -0.029 A ATOM 13 C LIG 1 5.344 -3.887 -1.539 0.00 0.00 +0.045 C ATOM 14 C LIG 1 2.937 -3.567 -0.968 0.00 0.00 +0.006 A ATOM 15 C LIG 1 1.814 -2.784 -0.696 0.00 0.00 +0.012 A ATOM 16 C LIG 1 1.890 -1.385 -0.710 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.149 -0.803 -1.003 0.00 0.00 +0.035 A BRANCH 11 19 ATOM 18 C LIG 1 5.895 0.347 -1.629 0.00 0.00 +0.241 C ATOM 19 N LIG 1 5.552 -0.991 -1.562 0.00 0.00 -0.282 N ATOM 20 H LIG 1 6.295 -1.650 -1.736 0.00 0.00 +0.155 HD ATOM 21 O LIG 1 5.184 1.328 -1.459 0.00 0.00 -0.271 OA BRANCH 18 23 ATOM 22 C LIG 1 7.881 1.737 -2.090 0.00 0.00 +0.013 C ATOM 23 C LIG 1 7.345 0.517 -1.957 0.00 0.00 +0.060 C ENDBRANCH 18 23 ENDBRANCH 11 19 ENDBRANCH 1 16 BRANCH 7 24 ATOM 24 N LIG 1 -4.854 -0.703 1.784 0.00 0.00 -0.327 N ATOM 25 C LIG 1 -4.803 -2.036 2.413 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -5.906 -2.197 3.486 0.00 0.00 +0.103 C ATOM 27 N LIG 1 -7.289 -1.937 3.034 0.00 0.00 -0.302 NA ATOM 28 C LIG 1 -8.000 -3.174 2.721 0.00 0.00 +0.105 C ATOM 29 C LIG 1 -7.313 -1.017 1.877 0.00 0.00 +0.103 C ATOM 30 C LIG 1 -6.147 -0.001 1.851 0.00 0.00 +0.120 C ENDBRANCH 7 24 BRANCH 8 31 ATOM 31 N LIG 1 0.022 2.980 -0.538 0.00 0.00 -0.282 N ATOM 32 H LIG 1 -0.749 3.325 -1.093 0.00 0.00 +0.155 HD BRANCH 31 33 ATOM 33 C LIG 1 1.243 3.518 -0.796 0.00 0.00 +0.146 A ATOM 34 N LIG 1 2.388 3.191 -0.196 0.00 0.00 -0.158 NA ATOM 35 N LIG 1 3.335 3.757 -0.951 0.00 0.00 -0.280 N ATOM 36 H LIG 1 4.299 3.471 -0.797 0.00 0.00 +0.189 HD ATOM 37 C LIG 1 2.833 4.650 -1.859 0.00 0.00 +0.035 A ATOM 38 C LIG 1 3.706 5.463 -2.730 0.00 0.00 +0.065 C ATOM 39 C LIG 1 1.462 4.516 -1.775 0.00 0.00 +0.068 A ENDBRANCH 31 33 ENDBRANCH 8 31 TORSDOF 6