REMARK Name = BDB061257 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.544 -1.662 -0.798 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -2.647 -0.782 -0.673 0.00 0.00 +0.151 A ATOM 3 C LIG 1 -3.838 -0.991 -1.381 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -4.941 -0.018 -1.194 0.00 0.00 +0.197 A ATOM 5 C LIG 1 -4.662 1.139 -0.327 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -3.483 1.224 0.299 0.00 0.00 +0.139 A ATOM 7 O LIG 1 -6.050 -0.113 -1.703 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 -3.936 -2.092 -2.237 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -2.863 -2.973 -2.372 0.00 0.00 +0.092 A ATOM 10 O LIG 1 -2.479 0.285 0.181 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -1.687 -2.763 -1.651 0.00 0.00 +0.128 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -3.134 2.364 1.169 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -1.841 2.909 1.117 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -1.482 3.978 1.941 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -2.413 4.504 2.827 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -3.697 3.978 2.906 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -4.055 2.908 2.079 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -2.021 5.546 3.614 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -2.774 5.822 4.162 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 8 20 ATOM 20 O LIG 1 -5.071 -2.328 -2.957 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -4.960 -3.113 -3.517 0.00 0.00 +0.292 HD ENDBRANCH 8 20 BRANCH 11 22 ATOM 22 O LIG 1 -0.707 -3.691 -1.862 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 -0.159 -3.787 -1.068 0.00 0.00 +0.292 HD ENDBRANCH 11 22 BRANCH 1 24 ATOM 24 C LIG 1 -0.256 -1.350 -0.060 0.00 0.00 +0.127 C BRANCH 24 30 ATOM 25 O LIG 1 4.738 -2.599 -1.750 0.00 0.00 -0.267 OA ATOM 26 C LIG 1 4.558 -1.680 -0.950 0.00 0.00 +0.282 C ATOM 27 N LIG 1 3.309 -1.031 -0.881 0.00 0.00 -0.293 N ATOM 28 C LIG 1 2.317 -1.461 -1.870 0.00 0.00 +0.123 C ATOM 29 C LIG 1 1.102 -0.519 -1.944 0.00 0.00 +0.104 C ATOM 30 N LIG 1 0.478 -0.211 -0.639 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 1.522 0.286 0.279 0.00 0.00 +0.104 C ATOM 32 C LIG 1 2.750 -0.634 0.418 0.00 0.00 +0.123 C BRANCH 26 33 ATOM 33 C LIG 1 5.616 -1.204 -0.076 0.00 0.00 +0.189 A ATOM 34 O LIG 1 6.504 -2.121 0.424 0.00 0.00 -0.458 OA ATOM 35 C LIG 1 7.405 -1.446 1.180 0.00 0.00 +0.196 A ATOM 36 C LIG 1 7.129 -0.100 1.172 0.00 0.00 +0.042 A ATOM 37 C LIG 1 5.984 0.060 0.355 0.00 0.00 +0.054 A ENDBRANCH 26 33 ENDBRANCH 24 30 ENDBRANCH 1 24 TORSDOF 7