REMARK Name = BDB046497 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.424 0.272 0.483 0.00 0.00 -0.302 N ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -1.248 -3.630 0.248 0.00 0.00 -0.016 A ATOM 3 C LIG 1 0.018 -3.382 -0.271 0.00 0.00 +0.010 A ATOM 4 C LIG 1 0.569 -2.097 -0.193 0.00 0.00 +0.024 A ATOM 5 C LIG 1 -0.136 -1.030 0.398 0.00 0.00 +0.031 A ATOM 6 C LIG 1 -1.411 -1.315 0.925 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -1.963 -2.599 0.849 0.00 0.00 +0.010 A BRANCH 2 14 ATOM 8 O LIG 1 -4.217 -9.177 -1.084 0.00 0.00 -0.248 OA ATOM 9 C LIG 1 -3.536 -8.406 -0.408 0.00 0.00 +0.353 C ATOM 10 N LIG 1 -2.195 -8.419 -0.496 0.00 0.00 -0.122 NA ATOM 11 C LIG 1 -1.541 -7.260 -0.444 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -0.365 -7.092 -0.785 0.00 0.00 -0.268 OA ATOM 13 C LIG 1 -2.329 -6.133 0.111 0.00 0.00 +0.111 C ATOM 14 C LIG 1 -1.810 -4.938 0.172 0.00 0.00 +0.008 C ATOM 15 C LIG 1 -3.665 -6.394 0.699 0.00 0.00 +0.277 C ATOM 16 O LIG 1 -4.267 -5.503 1.306 0.00 0.00 -0.268 OA ATOM 17 N LIG 1 -4.102 -7.643 0.542 0.00 0.00 -0.122 NA ENDBRANCH 2 14 ENDBRANCH 1 5 BRANCH 1 18 ATOM 18 C LIG 1 -0.416 1.420 0.817 0.00 0.00 +0.139 C BRANCH 18 19 ATOM 19 C LIG 1 -1.319 2.621 1.158 0.00 0.00 +0.227 C BRANCH 19 20 ATOM 20 O LIG 1 -2.097 3.656 1.460 0.00 0.00 -0.475 OA BRANCH 20 21 ATOM 21 C LIG 1 -3.100 3.928 0.562 0.00 0.00 +0.122 A ATOM 22 C LIG 1 -3.693 5.189 0.705 0.00 0.00 +0.048 A ATOM 23 C LIG 1 -4.729 5.589 -0.142 0.00 0.00 +0.036 A ATOM 24 C LIG 1 -5.176 4.715 -1.141 0.00 0.00 +0.126 A ATOM 25 C LIG 1 -4.601 3.446 -1.286 0.00 0.00 +0.036 A ATOM 26 C LIG 1 -3.565 3.054 -0.429 0.00 0.00 +0.048 A BRANCH 24 27 ATOM 27 N LIG 1 -6.255 5.137 -2.042 0.00 0.00 +0.056 N ATOM 28 O LIG 1 -6.838 6.201 -1.783 0.00 0.00 -0.126 OA ATOM 29 O LIG 1 -6.513 4.417 -3.016 0.00 0.00 -0.126 OA ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 1 30 ATOM 30 C LIG 1 1.657 0.607 -0.223 0.00 0.00 +0.139 C BRANCH 30 31 ATOM 31 C LIG 1 2.971 0.959 -0.949 0.00 0.00 +0.227 C BRANCH 31 32 ATOM 32 O LIG 1 4.104 1.261 -1.576 0.00 0.00 -0.475 OA BRANCH 32 33 ATOM 33 C LIG 1 5.188 1.487 -0.763 0.00 0.00 +0.122 A ATOM 34 C LIG 1 6.265 2.137 -1.380 0.00 0.00 +0.048 A ATOM 35 C LIG 1 7.431 2.418 -0.664 0.00 0.00 +0.036 A ATOM 36 C LIG 1 7.520 2.039 0.682 0.00 0.00 +0.126 A ATOM 37 C LIG 1 6.455 1.378 1.306 0.00 0.00 +0.036 A ATOM 38 C LIG 1 5.291 1.099 0.579 0.00 0.00 +0.048 A BRANCH 36 39 ATOM 39 N LIG 1 8.739 2.340 1.443 0.00 0.00 +0.056 N ATOM 40 O LIG 1 8.757 2.049 2.647 0.00 0.00 -0.126 OA ATOM 41 O LIG 1 9.680 2.876 0.838 0.00 0.00 -0.126 OA ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 12