REMARK Name = BDB064238 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.583 1.969 -1.073 0.00 0.00 +0.072 A ATOM 2 C LIG 1 1.841 2.641 0.117 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.901 3.399 0.700 0.00 0.00 -0.205 F ATOM 4 C LIG 1 3.082 2.523 0.733 0.00 0.00 +0.039 A ATOM 5 C LIG 1 4.079 1.737 0.148 0.00 0.00 +0.008 A ATOM 6 C LIG 1 3.843 1.065 -1.063 0.00 0.00 -0.027 A ATOM 7 C LIG 1 2.584 1.197 -1.673 0.00 0.00 +0.021 A ENDROOT BRANCH 1 13 ATOM 8 N LIG 1 -3.388 1.373 0.265 0.00 0.00 -0.296 N ATOM 9 C LIG 1 -3.451 1.823 -1.057 0.00 0.00 +0.233 C ATOM 10 O LIG 1 -4.513 2.073 -1.631 0.00 0.00 -0.274 OA ATOM 11 C LIG 1 -2.131 1.930 -1.847 0.00 0.00 +0.204 C ATOM 12 N LIG 1 -0.883 1.768 -1.109 0.00 0.00 -0.287 N ATOM 13 C LIG 1 0.291 2.122 -1.763 0.00 0.00 +0.250 C ATOM 14 O LIG 1 0.318 2.559 -2.912 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 -0.960 0.857 0.023 0.00 0.00 +0.127 C ATOM 16 C LIG 1 -2.093 1.287 0.945 0.00 0.00 +0.127 C BRANCH 8 18 ATOM 17 C LIG 1 -5.500 2.487 1.079 0.00 0.00 +0.028 C ATOM 18 C LIG 1 -4.594 1.249 1.110 0.00 0.00 +0.076 C BRANCH 18 19 ATOM 19 C LIG 1 -5.375 -0.084 0.922 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -4.492 -1.306 1.245 0.00 0.00 +0.005 C ATOM 21 C LIG 1 -5.282 -2.611 1.175 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -5.974 -2.781 -0.172 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -6.841 -1.573 -0.512 0.00 0.00 +0.000 C ATOM 24 C LIG 1 -6.040 -0.272 -0.451 0.00 0.00 +0.005 C ENDBRANCH 18 19 ENDBRANCH 8 18 ENDBRANCH 1 13 BRANCH 6 25 ATOM 25 C LIG 1 4.911 0.208 -1.716 0.00 0.00 +0.162 C BRANCH 25 26 ATOM 26 N LIG 1 5.216 -0.999 -0.951 0.00 0.00 -0.289 N ATOM 27 C LIG 1 6.358 -1.090 -0.096 0.00 0.00 +0.059 A ATOM 28 C LIG 1 6.577 -2.265 0.635 0.00 0.00 +0.063 A ATOM 29 C LIG 1 7.678 -2.406 1.492 0.00 0.00 +0.015 A ATOM 30 C LIG 1 8.586 -1.363 1.630 0.00 0.00 +0.001 A ATOM 31 C LIG 1 8.392 -0.188 0.911 0.00 0.00 +0.002 A ATOM 32 C LIG 1 5.630 -3.382 0.500 0.00 0.00 +0.262 A ATOM 33 O LIG 1 5.758 -4.423 1.133 0.00 0.00 -0.267 OA ATOM 34 N LIG 1 4.597 -3.188 -0.372 0.00 0.00 -0.274 N ATOM 35 H LIG 1 3.941 -3.947 -0.475 0.00 0.00 +0.173 HD ATOM 36 C LIG 1 7.290 -0.052 0.057 0.00 0.00 +0.027 A ATOM 37 C LIG 1 4.330 -2.060 -1.092 0.00 0.00 +0.330 A ATOM 38 O LIG 1 3.336 -2.036 -1.816 0.00 0.00 -0.246 OA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 5