REMARK Name = BDB026402 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.678 2.447 0.915 0.00 0.00 +0.033 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.327 3.158 0.872 0.00 0.00 +0.160 C BRANCH 2 3 ATOM 3 O LIG 1 -1.430 2.524 -0.039 0.00 0.00 -0.377 OA BRANCH 3 4 ATOM 4 C LIG 1 -0.725 1.414 0.519 0.00 0.00 +0.188 C BRANCH 4 5 ATOM 5 C LIG 1 0.567 1.861 1.202 0.00 0.00 +0.188 C BRANCH 5 6 ATOM 6 O LIG 1 1.181 0.729 1.817 0.00 0.00 -0.375 OA BRANCH 6 7 ATOM 7 C LIG 1 2.321 1.062 2.612 0.00 0.00 +0.188 C BRANCH 7 8 ATOM 8 C LIG 1 3.530 1.553 1.805 0.00 0.00 +0.188 C BRANCH 8 9 ATOM 9 O LIG 1 3.898 0.707 0.715 0.00 0.00 -0.375 OA BRANCH 9 10 ATOM 10 C LIG 1 4.253 -0.622 1.105 0.00 0.00 +0.188 C BRANCH 10 11 ATOM 11 C LIG 1 5.015 -1.301 -0.038 0.00 0.00 +0.188 C BRANCH 11 12 ATOM 12 O LIG 1 6.348 -0.786 -0.158 0.00 0.00 -0.376 OA BRANCH 12 13 ATOM 13 C LIG 1 7.293 -1.405 0.722 0.00 0.00 +0.178 C BRANCH 13 14 ATOM 14 C LIG 1 7.968 -2.593 0.030 0.00 0.00 +0.135 C BRANCH 14 15 ATOM 15 N LIG 1 8.794 -2.175 -1.083 0.00 0.00 -0.279 N ATOM 16 H LIG 1 8.345 -1.901 -1.947 0.00 0.00 +0.152 HD ATOM 17 C LIG 1 10.037 -1.649 -0.894 0.00 0.00 +0.401 C ATOM 18 O LIG 1 10.636 -1.647 0.169 0.00 0.00 -0.226 OA BRANCH 17 19 ATOM 19 O LIG 1 10.468 -1.121 -2.061 0.00 0.00 -0.445 OA BRANCH 19 20 ATOM 20 C LIG 1 11.761 -0.470 -2.145 0.00 0.00 +0.107 C ATOM 21 C LIG 1 11.816 0.774 -1.252 0.00 0.00 +0.055 C ATOM 22 C LIG 1 11.878 -0.027 -3.612 0.00 0.00 +0.055 C ATOM 23 C LIG 1 12.902 -1.448 -1.838 0.00 0.00 +0.055 C ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 6 7 ENDBRANCH 5 6 ENDBRANCH 4 5 ENDBRANCH 3 4 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 24 ATOM 24 C LIG 1 -4.355 2.424 -0.459 0.00 0.00 +0.037 C BRANCH 24 31 ATOM 25 C LIG 1 -9.681 3.405 0.749 0.00 0.00 +0.154 C ATOM 26 N LIG 1 -9.311 2.070 0.379 0.00 0.00 -0.295 N ATOM 27 C LIG 1 -8.019 1.655 0.033 0.00 0.00 +0.070 A ATOM 28 C LIG 1 -8.073 0.296 -0.287 0.00 0.00 +0.071 A ATOM 29 C LIG 1 -6.945 -0.392 -0.678 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -5.740 0.321 -0.732 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -5.679 1.697 -0.407 0.00 0.00 -0.045 A ATOM 32 N LIG 1 -9.405 -0.128 -0.132 0.00 0.00 -0.280 N ATOM 33 C LIG 1 -6.843 2.377 -0.016 0.00 0.00 +0.031 A ATOM 34 C LIG 1 -10.189 0.976 0.271 0.00 0.00 +0.331 A ATOM 35 O LIG 1 -11.389 0.969 0.496 0.00 0.00 -0.246 OA BRANCH 32 36 ATOM 36 C LIG 1 -9.948 -1.446 -0.371 0.00 0.00 +0.179 C ATOM 37 C LIG 1 -9.727 -1.949 -1.803 0.00 0.00 +0.242 C ATOM 38 O LIG 1 -9.509 -1.226 -2.773 0.00 0.00 -0.273 OA ATOM 39 N LIG 1 -9.838 -3.311 -1.980 0.00 0.00 -0.255 N ATOM 40 H LIG 1 -9.690 -3.641 -2.924 0.00 0.00 +0.158 HD ATOM 41 C LIG 1 -9.918 -4.283 -1.013 0.00 0.00 +0.219 C ATOM 42 O LIG 1 -9.854 -5.473 -1.305 0.00 0.00 -0.275 OA ATOM 43 C LIG 1 -10.135 -3.808 0.404 0.00 0.00 +0.099 C ATOM 44 C LIG 1 -9.453 -2.471 0.649 0.00 0.00 +0.044 C ENDBRANCH 32 36 ENDBRANCH 24 31 ENDBRANCH 1 24 TORSDOF 19