REMARK Name = BDB055509 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.925 0.235 -0.756 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.322 -0.246 -0.068 0.00 0.00 +0.121 A ATOM 3 C LIG 1 1.660 0.892 0.389 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.288 1.050 0.160 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.439 0.072 -0.529 0.00 0.00 -0.045 A ATOM 6 C LIG 1 0.227 -1.070 -0.985 0.00 0.00 +0.007 A ATOM 7 C LIG 1 1.596 -1.223 -0.754 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 3.649 -0.531 0.076 0.00 0.00 -0.490 OA BRANCH 8 9 ATOM 9 C LIG 1 4.499 0.412 0.739 0.00 0.00 +0.248 C BRANCH 9 10 ATOM 10 C LIG 1 4.976 1.529 -0.205 0.00 0.00 +0.150 C BRANCH 10 12 ATOM 11 C LIG 1 5.434 0.312 -2.336 0.00 0.00 +0.134 C ATOM 12 N LIG 1 5.947 1.065 -1.202 0.00 0.00 -0.285 N BRANCH 12 13 ATOM 13 C LIG 1 7.226 0.812 -0.832 0.00 0.00 +0.291 A ATOM 14 O LIG 1 7.646 1.317 0.374 0.00 0.00 -0.424 OA ATOM 15 C LIG 1 8.944 0.914 0.471 0.00 0.00 +0.157 A ATOM 16 C LIG 1 9.246 0.190 -0.668 0.00 0.00 +0.111 A ATOM 17 C LIG 1 10.534 -0.341 -0.812 0.00 0.00 +0.031 A ATOM 18 C LIG 1 11.463 -0.111 0.215 0.00 0.00 +0.002 A ATOM 19 C LIG 1 11.115 0.630 1.353 0.00 0.00 +0.004 A ATOM 20 C LIG 1 9.831 1.166 1.510 0.00 0.00 +0.048 A ATOM 21 N LIG 1 8.148 0.132 -1.484 0.00 0.00 -0.195 NA ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 CA LIG 1 -2.786 -0.568 0.237 0.00 0.00 +0.184 C BRANCH 22 23 ATOM 23 C LIG 1 -2.623 0.028 1.639 0.00 0.00 +0.326 C ATOM 24 O LIG 1 -2.855 1.183 1.967 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 OXT LIG 1 -2.196 -0.867 2.554 0.00 0.00 -0.479 OA ATOM 26 HXT LIG 1 -2.181 -0.361 3.393 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 N LIG 1 -4.201 -0.486 -0.198 0.00 0.00 -0.328 N ATOM 28 H LIG 1 -4.529 0.485 -0.184 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 -5.156 -1.278 0.472 0.00 0.00 +0.071 A ATOM 30 C LIG 1 -6.464 -0.781 0.648 0.00 0.00 +0.149 A ATOM 31 C LIG 1 -7.462 -1.541 1.269 0.00 0.00 +0.048 A ATOM 32 C LIG 1 -7.182 -2.841 1.675 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -5.912 -3.373 1.462 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -4.912 -2.601 0.857 0.00 0.00 +0.026 A BRANCH 30 35 ATOM 35 O LIG 1 -6.717 0.526 0.273 0.00 0.00 -0.454 OA BRANCH 35 36 ATOM 36 C LIG 1 -7.712 0.719 -0.660 0.00 0.00 +0.129 A ATOM 37 C LIG 1 -7.856 -0.079 -1.798 0.00 0.00 +0.046 A ATOM 38 C LIG 1 -8.868 0.201 -2.717 0.00 0.00 +0.004 A ATOM 39 C LIG 1 -9.725 1.282 -2.506 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -9.566 2.091 -1.381 0.00 0.00 +0.004 A ATOM 41 C LIG 1 -8.554 1.813 -0.461 0.00 0.00 +0.046 A ENDBRANCH 35 36 ENDBRANCH 30 35 ENDBRANCH 27 29 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 13