REMARK Name = BDB056885 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.281 0.840 1.425 0.00 0.00 +0.012 A ATOM 2 C LIG 1 1.503 0.300 0.939 0.00 0.00 +0.009 A ATOM 3 C LIG 1 2.722 0.823 1.423 0.00 0.00 -0.014 A ATOM 4 C LIG 1 3.935 0.308 0.945 0.00 0.00 +0.037 A ATOM 5 C LIG 1 3.914 -0.704 -0.008 0.00 0.00 +0.075 A ATOM 6 N LIG 1 2.775 -1.234 -0.491 0.00 0.00 -0.254 NA ATOM 7 C LIG 1 2.708 1.851 2.380 0.00 0.00 +0.008 A ATOM 8 C LIG 1 1.505 2.368 2.858 0.00 0.00 +0.001 A ATOM 9 C LIG 1 1.611 -0.732 -0.008 0.00 0.00 +0.120 A ATOM 10 C LIG 1 0.297 1.866 2.383 0.00 0.00 +0.011 A ENDROOT BRANCH 1 16 ATOM 11 C LIG 1 -2.755 5.210 -0.693 0.00 0.00 +0.109 C ATOM 12 C LIG 1 -3.593 4.109 -1.294 0.00 0.00 +0.213 C ATOM 13 N LIG 1 -3.243 2.801 -0.979 0.00 0.00 -0.297 N ATOM 14 C LIG 1 -1.957 2.467 -0.334 0.00 0.00 +0.146 C ATOM 15 C LIG 1 -1.979 1.077 0.196 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -1.012 0.364 0.946 0.00 0.00 +0.098 A ATOM 17 N LIG 1 -1.422 -0.890 1.183 0.00 0.00 -0.170 NA ATOM 18 N LIG 1 -2.645 -0.981 0.616 0.00 0.00 -0.264 N ATOM 19 C LIG 1 -3.007 0.179 -0.006 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -4.246 0.505 -0.757 0.00 0.00 +0.074 C ATOM 21 C LIG 1 -3.961 1.712 -1.674 0.00 0.00 +0.114 C ATOM 22 O LIG 1 -4.548 4.388 -2.018 0.00 0.00 -0.276 OA BRANCH 18 23 ATOM 23 C LIG 1 -3.338 -2.262 0.692 0.00 0.00 +0.112 C ATOM 24 C LIG 1 -4.743 -2.168 1.305 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -5.677 -3.214 0.712 0.00 0.00 +0.162 C ATOM 26 O LIG 1 -4.972 -4.434 0.527 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 -3.989 -4.369 -0.507 0.00 0.00 +0.162 C ATOM 28 C LIG 1 -3.341 -2.996 -0.649 0.00 0.00 +0.055 C ENDBRANCH 18 23 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 5.135 -1.271 -0.537 0.00 0.00 +0.046 A ATOM 30 C LIG 1 6.213 -0.566 -1.051 0.00 0.00 +0.113 A ATOM 31 N LIG 1 7.141 -1.516 -1.396 0.00 0.00 -0.265 N ATOM 32 C LIG 1 8.475 -1.310 -1.913 0.00 0.00 +0.173 C ATOM 33 N LIG 1 6.702 -2.778 -1.225 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 5.477 -2.625 -0.719 0.00 0.00 +0.144 A BRANCH 30 35 ATOM 35 C LIG 1 6.432 0.881 -1.245 0.00 0.00 +0.390 C ATOM 36 F LIG 1 7.003 1.425 -0.137 0.00 0.00 -0.202 F ATOM 37 F LIG 1 7.283 1.137 -2.273 0.00 0.00 -0.202 F ENDBRANCH 30 35 ENDBRANCH 5 29 TORSDOF 4