REMARK Name = BDB061278 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -4.704 -0.798 4.306 0.00 0.00 -0.287 OA ATOM 2 C LIG 1 -4.071 -0.801 3.259 0.00 0.00 +0.197 A ATOM 3 C LIG 1 -2.664 -1.248 3.120 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -2.071 -1.180 1.850 0.00 0.00 +0.151 A ATOM 5 C LIG 1 -0.733 -1.576 1.643 0.00 0.00 +0.051 A ATOM 6 C LIG 1 -0.023 -2.068 2.748 0.00 0.00 +0.128 A ATOM 7 C LIG 1 -0.600 -2.150 4.011 0.00 0.00 +0.092 A ATOM 8 O LIG 1 -2.756 -0.735 0.741 0.00 0.00 -0.454 OA ATOM 9 C LIG 1 -4.061 -0.308 0.880 0.00 0.00 +0.139 A ATOM 10 C LIG 1 -1.917 -1.737 4.199 0.00 0.00 +0.135 A ATOM 11 C LIG 1 -4.736 -0.324 2.035 0.00 0.00 +0.098 A ENDROOT BRANCH 9 12 ATOM 12 C LIG 1 -4.681 0.156 -0.375 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -4.479 -0.564 -1.563 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -5.046 -0.130 -2.764 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -5.812 1.028 -2.786 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -6.020 1.764 -1.625 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -5.453 1.329 -0.423 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -6.345 1.415 -3.979 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -6.859 2.227 -3.843 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 9 12 BRANCH 6 20 ATOM 20 O LIG 1 1.276 -2.485 2.647 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 1.605 -2.182 1.771 0.00 0.00 +0.292 HD ENDBRANCH 6 20 BRANCH 10 22 ATOM 22 O LIG 1 -2.457 -1.823 5.450 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 -1.810 -2.192 6.072 0.00 0.00 +0.292 HD ENDBRANCH 10 22 BRANCH 5 24 ATOM 24 C LIG 1 -0.135 -1.555 0.245 0.00 0.00 +0.127 C BRANCH 24 25 ATOM 25 N LIG 1 1.315 -1.256 0.228 0.00 0.00 -0.295 NA ATOM 26 C LIG 1 1.886 -1.657 -1.087 0.00 0.00 +0.103 C ATOM 27 C LIG 1 3.231 -0.971 -1.418 0.00 0.00 +0.120 C ATOM 28 N LIG 1 3.080 0.503 -1.479 0.00 0.00 -0.327 N ATOM 29 C LIG 1 1.904 1.034 -0.761 0.00 0.00 +0.120 C ATOM 30 C LIG 1 1.581 0.189 0.490 0.00 0.00 +0.103 C BRANCH 28 31 ATOM 31 C LIG 1 4.305 1.179 -1.408 0.00 0.00 +0.030 A ATOM 32 C LIG 1 5.257 0.981 -2.425 0.00 0.00 +0.027 A ATOM 33 C LIG 1 6.499 1.624 -2.409 0.00 0.00 +0.047 A ATOM 34 C LIG 1 6.806 2.481 -1.362 0.00 0.00 +0.117 A ATOM 35 C LIG 1 5.893 2.699 -0.342 0.00 0.00 +0.047 A ATOM 36 C LIG 1 4.651 2.053 -0.367 0.00 0.00 +0.027 A BRANCH 34 37 ATOM 37 O LIG 1 8.002 3.131 -1.299 0.00 0.00 -0.507 OA ATOM 38 H LIG 1 8.525 2.890 -2.081 0.00 0.00 +0.292 HD ENDBRANCH 34 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 8