REMARK Name = BDB059860 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.342 0.448 -2.273 0.00 0.00 +0.162 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -0.795 2.127 -0.418 0.00 0.00 +0.125 A ATOM 3 C LIG 1 -1.662 1.657 -1.422 0.00 0.00 +0.014 A ATOM 4 C LIG 1 -2.854 2.362 -1.671 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -3.188 3.492 -0.927 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -2.324 3.948 0.063 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -1.127 3.274 0.310 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 0.369 1.429 -0.237 0.00 0.00 -0.492 OA BRANCH 8 9 ATOM 9 C LIG 1 0.941 1.486 1.074 0.00 0.00 +0.229 C BRANCH 9 10 ATOM 10 C LIG 1 1.898 0.307 1.247 0.00 0.00 +0.041 C BRANCH 10 11 ATOM 11 C LIG 1 3.114 0.399 0.320 0.00 0.00 +0.007 C BRANCH 11 13 ATOM 12 C LIG 1 4.972 -0.773 -0.885 0.00 0.00 +0.008 C ATOM 13 C LIG 1 3.899 -0.925 0.202 0.00 0.00 -0.003 C BRANCH 13 14 ATOM 14 C LIG 1 4.534 -1.344 1.539 0.00 0.00 +0.123 C BRANCH 14 15 ATOM 15 C LIG 1 5.061 -2.756 1.516 0.00 0.00 +0.305 C ATOM 16 O LIG 1 4.768 -3.647 0.738 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 5.923 -2.987 2.527 0.00 0.00 -0.481 OA ATOM 18 H LIG 1 6.171 -3.929 2.414 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 N LIG 1 -1.016 -0.772 -1.530 0.00 0.00 -0.316 N ATOM 20 C LIG 1 -1.757 -1.353 -0.514 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -1.129 -2.413 -0.040 0.00 0.00 -0.235 NA ATOM 22 C LIG 1 -0.015 -2.579 -0.813 0.00 0.00 +0.143 A ATOM 23 C LIG 1 0.071 -1.593 -1.766 0.00 0.00 +0.143 A BRANCH 20 24 ATOM 24 C LIG 1 -3.033 -0.859 -0.004 0.00 0.00 +0.018 A ATOM 25 C LIG 1 -4.186 -0.881 -0.799 0.00 0.00 +0.013 A ATOM 26 C LIG 1 -5.395 -0.385 -0.302 0.00 0.00 +0.019 A ATOM 27 C LIG 1 -5.461 0.127 0.999 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -4.319 0.126 1.804 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -3.113 -0.373 1.306 0.00 0.00 +0.013 A BRANCH 27 30 ATOM 30 C LIG 1 -6.697 0.649 1.503 0.00 0.00 +0.099 C ATOM 31 N LIG 1 -7.697 1.081 1.904 0.00 0.00 -0.191 NA ENDBRANCH 27 30 ENDBRANCH 20 24 BRANCH 23 32 ATOM 32 C LIG 1 1.060 -1.387 -2.836 0.00 0.00 +0.434 C ATOM 33 F LIG 1 1.734 -0.221 -2.696 0.00 0.00 -0.164 F ATOM 34 F LIG 1 1.984 -2.376 -2.885 0.00 0.00 -0.164 F ATOM 35 F LIG 1 0.461 -1.346 -4.054 0.00 0.00 -0.164 F ENDBRANCH 23 32 ENDBRANCH 1 19 TORSDOF 13