REMARK Name = BDB059767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.176 3.511 0.191 0.00 0.00 +0.113 A ATOM 2 N LIG 1 0.350 2.730 -0.925 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -0.753 2.139 -1.512 0.00 0.00 +0.258 A ATOM 4 O LIG 1 -0.748 1.641 -2.637 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 -2.002 2.121 -0.714 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -2.018 2.862 0.405 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -3.191 2.921 1.351 0.00 0.00 +0.066 C ATOM 8 N LIG 1 -0.952 3.615 0.819 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 1.314 4.366 0.724 0.00 0.00 +0.074 C BRANCH 9 10 ATOM 10 C LIG 1 1.390 5.691 -0.034 0.00 0.00 +0.007 C BRANCH 10 12 ATOM 11 C LIG 1 2.630 7.871 -0.282 0.00 0.00 +0.004 C ATOM 12 C LIG 1 2.554 6.547 0.463 0.00 0.00 -0.003 C ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 2 13 ATOM 13 C LIG 1 1.633 2.528 -1.603 0.00 0.00 +0.161 C BRANCH 13 14 ATOM 14 C LIG 1 2.302 1.230 -1.182 0.00 0.00 -0.028 A ATOM 15 C LIG 1 3.315 1.214 -0.216 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.914 0.010 0.170 0.00 0.00 +0.009 A ATOM 17 C LIG 1 3.514 -1.210 -0.395 0.00 0.00 -0.017 A ATOM 18 C LIG 1 2.508 -1.191 -1.369 0.00 0.00 +0.009 A ATOM 19 C LIG 1 1.909 0.011 -1.754 0.00 0.00 +0.006 A BRANCH 17 20 ATOM 20 C LIG 1 4.150 -2.472 0.011 0.00 0.00 -0.007 A ATOM 21 C LIG 1 3.489 -3.514 0.699 0.00 0.00 +0.028 A ATOM 22 C LIG 1 4.177 -4.711 0.979 0.00 0.00 +0.012 A ATOM 23 C LIG 1 5.511 -4.879 0.608 0.00 0.00 +0.001 A ATOM 24 C LIG 1 6.174 -3.855 -0.054 0.00 0.00 +0.001 A ATOM 25 C LIG 1 5.501 -2.669 -0.351 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 C LIG 1 2.090 -3.458 1.181 0.00 0.00 +0.183 A ATOM 27 N LIG 1 1.480 -2.306 1.493 0.00 0.00 -0.271 N ATOM 28 H LIG 1 1.819 -1.362 1.444 0.00 0.00 +0.174 HD ATOM 29 C LIG 1 0.251 -2.621 1.926 0.00 0.00 +0.440 A ATOM 30 O LIG 1 -0.599 -1.839 2.322 0.00 0.00 -0.221 OA ATOM 31 O LIG 1 0.106 -3.983 1.871 0.00 0.00 -0.295 OA ATOM 32 N LIG 1 1.346 -4.497 1.385 0.00 0.00 -0.054 NA ENDBRANCH 21 26 ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 2 13 BRANCH 5 33 ATOM 33 C LIG 1 -3.109 1.256 -1.254 0.00 0.00 +0.141 C BRANCH 33 34 ATOM 34 C LIG 1 -3.006 -0.170 -0.852 0.00 0.00 +0.232 A ATOM 35 O LIG 1 -2.121 -0.948 -1.539 0.00 0.00 -0.338 OA ATOM 36 N LIG 1 -2.162 -2.212 -0.948 0.00 0.00 -0.061 NA ATOM 37 C LIG 1 -3.079 -2.068 0.022 0.00 0.00 +0.176 A ATOM 38 N LIG 1 -3.626 -0.808 0.115 0.00 0.00 -0.195 NA BRANCH 37 39 ATOM 39 C LIG 1 -3.435 -3.163 0.957 0.00 0.00 +0.114 C BRANCH 39 40 ATOM 40 C LIG 1 -4.680 -3.811 0.395 0.00 0.00 -0.040 A ATOM 41 C LIG 1 -4.579 -4.898 -0.490 0.00 0.00 +0.007 A ATOM 42 C LIG 1 -5.729 -5.493 -1.012 0.00 0.00 +0.038 A ATOM 43 C LIG 1 -6.978 -5.002 -0.653 0.00 0.00 +0.123 A ATOM 44 F LIG 1 -8.081 -5.573 -1.155 0.00 0.00 -0.205 F ATOM 45 C LIG 1 -7.101 -3.925 0.217 0.00 0.00 +0.038 A ATOM 46 C LIG 1 -5.954 -3.329 0.741 0.00 0.00 +0.007 A ENDBRANCH 39 40 ENDBRANCH 37 39 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 11