REMARK Name = BDB053618 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.895 -0.361 0.053 0.00 0.00 +0.129 A ATOM 2 C LIG 1 -0.664 1.010 0.215 0.00 0.00 +0.091 A ATOM 3 C LIG 1 0.634 1.502 0.346 0.00 0.00 +0.127 A ATOM 4 C LIG 1 1.711 0.610 0.313 0.00 0.00 +0.091 A ATOM 5 C LIG 1 1.494 -0.758 0.152 0.00 0.00 +0.127 A ATOM 6 C LIG 1 0.187 -1.239 0.023 0.00 0.00 +0.091 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -2.217 -0.696 -0.063 0.00 0.00 -0.477 OA BRANCH 7 8 ATOM 8 C LIG 1 -2.563 -2.067 -0.283 0.00 0.00 +0.281 C BRANCH 8 9 ATOM 9 C LIG 1 -2.301 -2.476 -1.733 0.00 0.00 +0.346 C ATOM 10 O LIG 1 -2.353 -1.770 -2.727 0.00 0.00 -0.247 OA BRANCH 9 11 ATOM 11 O LIG 1 -1.986 -3.785 -1.854 0.00 0.00 -0.478 OA ATOM 12 H LIG 1 -1.836 -3.897 -2.817 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 8 9 BRANCH 8 13 ATOM 13 C LIG 1 -4.065 -2.181 0.022 0.00 0.00 +0.056 C BRANCH 13 14 ATOM 14 C LIG 1 -4.570 -3.624 0.079 0.00 0.00 +0.004 C BRANCH 14 16 ATOM 15 C LIG 1 -6.553 -5.110 0.546 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -6.043 -3.679 0.490 0.00 0.00 -0.003 C ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 17 ATOM 17 O LIG 1 0.992 2.813 0.502 0.00 0.00 -0.491 OA BRANCH 17 18 ATOM 18 C LIG 1 -0.037 3.802 0.579 0.00 0.00 +0.233 C BRANCH 18 19 ATOM 19 C LIG 1 -0.447 4.274 -0.817 0.00 0.00 +0.076 C BRANCH 19 20 ATOM 20 C LIG 1 -1.539 5.310 -0.762 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -1.225 6.666 -0.602 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -2.239 7.622 -0.529 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -3.575 7.231 -0.612 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.897 5.884 -0.768 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -2.884 4.927 -0.841 0.00 0.00 +0.004 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 3 17 BRANCH 5 26 ATOM 26 O LIG 1 2.462 -1.725 0.104 0.00 0.00 -0.491 OA BRANCH 26 27 ATOM 27 C LIG 1 3.820 -1.292 0.217 0.00 0.00 +0.233 C BRANCH 27 28 ATOM 28 C LIG 1 4.716 -2.526 0.128 0.00 0.00 +0.076 C BRANCH 28 29 ATOM 29 C LIG 1 6.177 -2.175 0.238 0.00 0.00 -0.044 A ATOM 30 C LIG 1 6.920 -1.859 -0.907 0.00 0.00 +0.004 A ATOM 31 C LIG 1 8.267 -1.512 -0.802 0.00 0.00 +0.000 A ATOM 32 C LIG 1 8.883 -1.474 0.448 0.00 0.00 +0.000 A ATOM 33 C LIG 1 8.152 -1.782 1.594 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.804 -2.129 1.491 0.00 0.00 +0.004 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 15