REMARK Name = BDB045771 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.885 0.871 0.047 0.00 0.00 +0.162 A ATOM 2 C LIG 1 5.681 0.072 -0.788 0.00 0.00 +0.165 A ATOM 3 C LIG 1 5.088 -0.974 -1.505 0.00 0.00 +0.078 A ATOM 4 C LIG 1 3.732 -1.256 -1.411 0.00 0.00 +0.080 A ATOM 5 C LIG 1 2.932 -0.477 -0.566 0.00 0.00 +0.044 A ATOM 6 C LIG 1 1.569 -0.837 -0.517 0.00 0.00 +0.134 A ATOM 7 N LIG 1 1.072 -1.841 -1.260 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 1.935 -2.506 -2.032 0.00 0.00 +0.223 A ATOM 9 N LIG 1 3.246 -2.265 -2.138 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 3.521 0.594 0.154 0.00 0.00 +0.062 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 4.742 2.792 1.466 0.00 0.00 +0.277 C ATOM 12 O LIG 1 5.529 1.882 0.711 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 6 13 ATOM 13 N LIG 1 0.706 -0.125 0.361 0.00 0.00 -0.299 N ATOM 14 H LIG 1 1.093 -0.166 1.299 0.00 0.00 +0.154 HD BRANCH 13 15 ATOM 15 C LIG 1 -0.706 -0.120 0.395 0.00 0.00 +0.032 A ATOM 16 C LIG 1 -1.494 -0.324 -0.740 0.00 0.00 +0.025 A ATOM 17 C LIG 1 -2.891 -0.239 -0.675 0.00 0.00 +0.025 A ATOM 18 C LIG 1 -3.534 0.077 0.525 0.00 0.00 +0.034 A ATOM 19 C LIG 1 -2.755 0.325 1.652 0.00 0.00 +0.025 A ATOM 20 C LIG 1 -1.358 0.238 1.583 0.00 0.00 +0.025 A BRANCH 18 21 ATOM 21 N LIG 1 -4.943 0.147 0.506 0.00 0.00 -0.282 N ATOM 22 H LIG 1 -5.377 -0.062 -0.383 0.00 0.00 +0.155 HD ATOM 23 C LIG 1 -5.786 0.372 1.579 0.00 0.00 +0.248 C ATOM 24 O LIG 1 -5.466 0.488 2.756 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 -7.234 0.434 1.232 0.00 0.00 +0.037 A ATOM 26 C LIG 1 -8.162 -0.092 2.139 0.00 0.00 +0.013 A ATOM 27 C LIG 1 -9.526 -0.053 1.847 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -9.967 0.521 0.654 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -9.049 1.065 -0.244 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -7.682 1.027 0.043 0.00 0.00 +0.013 A ENDBRANCH 23 25 ENDBRANCH 18 21 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 2 31 ATOM 31 O LIG 1 7.014 0.395 -0.840 0.00 0.00 -0.477 OA BRANCH 31 32 ATOM 32 C LIG 1 7.856 -0.390 -1.673 0.00 0.00 +0.349 C BRANCH 32 33 ATOM 33 C LIG 1 9.289 0.105 -1.601 0.00 0.00 +0.343 C ATOM 34 O LIG 1 9.742 1.032 -0.951 0.00 0.00 -0.247 OA BRANCH 33 35 ATOM 35 O LIG 1 10.113 -0.626 -2.387 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 10.990 -0.207 -2.248 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 9