REMARK Name = BDB058818 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.086 1.716 -0.615 0.00 0.00 +0.021 A ATOM 2 C LIG 1 -0.594 0.603 0.079 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.283 -0.192 0.821 0.00 0.00 +0.050 A ATOM 4 C LIG 1 1.650 0.112 0.876 0.00 0.00 +0.049 A ATOM 5 C LIG 1 2.155 1.215 0.192 0.00 0.00 +0.122 A ATOM 6 C LIG 1 1.285 2.005 -0.560 0.00 0.00 +0.057 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -1.752 3.557 -0.928 0.00 0.00 +0.037 C ATOM 8 C LIG 1 -0.947 2.594 -1.421 0.00 0.00 +0.022 C BRANCH 7 9 ATOM 9 C LIG 1 -2.551 4.288 -1.940 0.00 0.00 +0.333 C ATOM 10 O LIG 1 -2.389 4.274 -3.147 0.00 0.00 -0.245 OA BRANCH 9 11 ATOM 11 O LIG 1 -3.541 5.013 -1.393 0.00 0.00 -0.477 OA ATOM 12 H LIG 1 -3.976 5.422 -2.170 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 7 9 BRANCH 7 13 ATOM 13 C LIG 1 -1.922 3.905 0.531 0.00 0.00 +0.042 C BRANCH 13 15 ATOM 14 C LIG 1 0.164 5.359 0.775 0.00 0.00 +0.004 C ATOM 15 C LIG 1 -1.348 5.273 0.923 0.00 0.00 +0.001 C ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 2 16 ATOM 16 O LIG 1 -1.943 0.388 -0.029 0.00 0.00 -0.491 OA BRANCH 16 17 ATOM 17 C LIG 1 -2.481 -0.798 0.554 0.00 0.00 +0.232 C BRANCH 17 18 ATOM 18 C LIG 1 -3.990 -0.848 0.248 0.00 0.00 +0.029 C ATOM 19 C LIG 1 -4.665 -2.035 0.947 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -4.339 -3.372 0.273 0.00 0.00 +0.084 C ATOM 21 N LIG 1 -4.604 -3.398 -1.169 0.00 0.00 -0.305 NA ATOM 22 C LIG 1 -6.033 -3.484 -1.468 0.00 0.00 +0.104 C ATOM 23 C LIG 1 -3.961 -2.275 -1.864 0.00 0.00 +0.084 C ATOM 24 C LIG 1 -4.280 -0.903 -1.261 0.00 0.00 +0.022 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 2 16 BRANCH 5 25 ATOM 25 O LIG 1 3.463 1.610 0.152 0.00 0.00 -0.487 OA BRANCH 25 26 ATOM 26 C LIG 1 4.372 1.056 1.107 0.00 0.00 +0.264 C BRANCH 26 27 ATOM 27 C LIG 1 4.989 -0.253 0.664 0.00 0.00 -0.010 A ATOM 28 C LIG 1 5.428 -1.178 1.620 0.00 0.00 +0.017 A ATOM 29 C LIG 1 6.029 -2.390 1.231 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.210 -2.689 -0.135 0.00 0.00 +0.071 A ATOM 31 N LIG 1 6.778 -3.835 -0.552 0.00 0.00 -0.255 NA ATOM 32 C LIG 1 7.186 -4.719 0.384 0.00 0.00 +0.111 A ATOM 33 C LIG 1 7.054 -4.516 1.745 0.00 0.00 +0.020 A ATOM 34 C LIG 1 5.784 -1.756 -1.069 0.00 0.00 +0.029 A ATOM 35 C LIG 1 6.466 -3.332 2.173 0.00 0.00 +0.011 A ATOM 36 C LIG 1 5.187 -0.549 -0.688 0.00 0.00 +0.009 A ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 11