REMARK Name = BDB024248 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.759 1.878 0.784 0.00 0.00 -0.269 N ATOM 2 H LIG 1 -0.898 2.750 1.274 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 -1.911 1.156 0.691 0.00 0.00 +0.240 C ATOM 4 O LIG 1 -2.928 1.682 1.173 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 3.167 1.095 -0.473 0.00 0.00 +0.048 A ATOM 6 C LIG 1 2.077 0.265 -0.745 0.00 0.00 +0.136 A ATOM 7 N LIG 1 0.791 0.479 -0.356 0.00 0.00 -0.238 NA ATOM 8 C LIG 1 0.531 1.587 0.346 0.00 0.00 +0.125 A ATOM 9 C LIG 1 1.528 2.502 0.654 0.00 0.00 +0.045 A ATOM 10 C LIG 1 2.841 2.251 0.240 0.00 0.00 +0.028 A BRANCH 5 17 ATOM 11 C LIG 1 8.300 -1.607 0.128 0.00 0.00 +0.132 C ATOM 12 N LIG 1 7.294 -0.741 -0.475 0.00 0.00 -0.303 N ATOM 13 C LIG 1 7.113 -0.870 -1.847 0.00 0.00 +0.217 C ATOM 14 O LIG 1 7.814 -1.625 -2.528 0.00 0.00 -0.276 OA ATOM 15 C LIG 1 6.094 -0.002 -2.547 0.00 0.00 +0.115 C ATOM 16 C LIG 1 4.701 -0.132 -1.968 0.00 0.00 +0.114 C ATOM 17 N LIG 1 4.471 0.847 -0.896 0.00 0.00 -0.327 N ATOM 18 C LIG 1 5.571 1.078 0.060 0.00 0.00 +0.124 C ATOM 19 C LIG 1 6.281 -0.225 0.457 0.00 0.00 +0.126 C ENDBRANCH 5 17 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 -1.973 -0.258 0.043 0.00 0.00 +0.171 C BRANCH 20 21 ATOM 21 C LIG 1 -1.587 -1.341 1.046 0.00 0.00 -0.022 A ATOM 22 C LIG 1 -2.152 -1.392 2.333 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -1.793 -2.400 3.230 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -0.873 -3.376 2.853 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -0.315 -3.348 1.577 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -0.673 -2.341 0.679 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 -3.358 -0.531 -0.442 0.00 0.00 -0.302 NA ATOM 28 H LIG 1 -3.990 -0.219 0.301 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.669 0.222 -1.662 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 -5.106 -0.046 -2.139 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -6.167 0.480 -1.198 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -6.836 -0.392 -0.329 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.801 0.092 0.558 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -8.105 1.456 0.585 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -7.440 2.332 -0.279 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -6.475 1.846 -1.165 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -9.092 1.956 1.495 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -9.895 2.361 2.230 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 3 20 TORSDOF 9