REMARK Name = BDB049130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.907 -0.360 3.389 0.00 0.00 -0.326 N ATOM 2 C LIG 1 -1.232 -0.480 2.028 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -2.570 -0.659 1.592 0.00 0.00 -0.020 A ATOM 4 C LIG 1 -2.858 -0.689 0.206 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -1.840 -0.638 -0.749 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -0.522 -0.530 -0.329 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -3.721 -0.786 2.598 0.00 0.00 -0.007 C ATOM 8 C LIG 1 -4.498 0.545 2.649 0.00 0.00 +0.016 C ATOM 9 C LIG 1 -4.708 -1.915 2.218 0.00 0.00 +0.016 C ATOM 10 C LIG 1 -3.155 -1.143 3.986 0.00 0.00 +0.030 C ATOM 11 C LIG 1 -0.230 -0.462 1.036 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -2.000 -0.235 4.356 0.00 0.00 +0.106 C ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 -2.131 -0.659 -2.205 0.00 0.00 +0.193 C ATOM 14 O LIG 1 -1.444 0.014 -2.969 0.00 0.00 -0.287 OA BRANCH 13 15 ATOM 15 C LIG 1 -3.250 -1.465 -2.754 0.00 0.00 +0.022 A ATOM 16 C LIG 1 -3.976 -0.951 -3.835 0.00 0.00 +0.012 A ATOM 17 C LIG 1 -5.037 -1.681 -4.376 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -5.365 -2.928 -3.843 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -4.629 -3.453 -2.778 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -3.568 -2.727 -2.237 0.00 0.00 +0.012 A ENDBRANCH 13 15 ENDBRANCH 5 13 BRANCH 1 21 ATOM 21 C LIG 1 0.344 0.327 3.776 0.00 0.00 +0.146 C BRANCH 21 22 ATOM 22 C LIG 1 0.274 1.847 3.550 0.00 0.00 +0.248 C BRANCH 22 23 ATOM 23 O LIG 1 1.578 2.442 3.606 0.00 0.00 -0.490 OA BRANCH 23 27 ATOM 24 C LIG 1 3.940 2.258 0.169 0.00 0.00 -0.046 A ATOM 25 C LIG 1 4.461 1.979 1.440 0.00 0.00 +0.007 A ATOM 26 C LIG 1 3.642 2.056 2.569 0.00 0.00 +0.046 A ATOM 27 C LIG 1 2.293 2.387 2.440 0.00 0.00 +0.121 A ATOM 28 C LIG 1 1.776 2.695 1.183 0.00 0.00 +0.046 A ATOM 29 C LIG 1 2.593 2.622 0.051 0.00 0.00 +0.007 A BRANCH 24 30 ATOM 30 C LIG 1 4.814 2.154 -1.058 0.00 0.00 +0.061 C BRANCH 30 31 ATOM 31 C LIG 1 4.912 0.725 -1.610 0.00 0.00 +0.210 C BRANCH 31 32 ATOM 32 C LIG 1 5.983 0.637 -2.670 0.00 0.00 +0.321 C ATOM 33 O LIG 1 6.777 1.529 -2.940 0.00 0.00 -0.250 OA BRANCH 32 35 ATOM 34 C LIG 1 6.992 -0.770 -4.253 0.00 0.00 +0.280 C ATOM 35 O LIG 1 5.994 -0.601 -3.248 0.00 0.00 -0.467 OA ENDBRANCH 32 35 ENDBRANCH 31 32 BRANCH 31 36 ATOM 36 C LIG 1 3.576 0.264 -2.134 0.00 0.00 +0.321 C ATOM 37 O LIG 1 2.909 -0.624 -1.617 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 3.201 0.984 -3.229 0.00 0.00 -0.467 OA ATOM 39 C LIG 1 1.900 0.659 -3.730 0.00 0.00 +0.280 C ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 23 27 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 12