REMARK Name = BDB029278 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.241 1.260 -2.118 0.00 0.00 +0.195 C ATOM 2 C LIG 1 -1.514 0.061 -1.208 0.00 0.00 +0.252 C ATOM 3 O LIG 1 -0.254 -0.639 -1.058 0.00 0.00 -0.345 OA ATOM 4 C LIG 1 0.640 -0.199 -2.112 0.00 0.00 +0.185 C ATOM 5 C LIG 1 -0.199 0.672 -3.053 0.00 0.00 +0.179 C ENDROOT BRANCH 2 6 ATOM 6 N LIG 1 -2.011 0.443 0.107 0.00 0.00 -0.303 N ATOM 7 C LIG 1 -3.341 0.458 0.453 0.00 0.00 +0.146 A ATOM 8 C LIG 1 -3.439 0.902 1.766 0.00 0.00 +0.043 A ATOM 9 C LIG 1 -4.728 0.993 2.314 0.00 0.00 +0.084 A ATOM 10 N LIG 1 -5.789 0.661 1.519 0.00 0.00 -0.237 NA ATOM 11 C LIG 1 -5.547 0.242 0.261 0.00 0.00 +0.223 A ATOM 12 C LIG 1 -2.114 1.156 2.215 0.00 0.00 +0.031 A ATOM 13 N LIG 1 -4.361 0.107 -0.349 0.00 0.00 -0.218 NA ATOM 14 C LIG 1 -1.256 0.865 1.176 0.00 0.00 +0.091 A BRANCH 9 15 ATOM 15 C LIG 1 -5.027 1.487 3.700 0.00 0.00 +0.269 C ATOM 16 F LIG 1 -4.012 1.295 4.591 0.00 0.00 -0.242 F ENDBRANCH 9 15 ENDBRANCH 2 6 BRANCH 1 17 ATOM 17 O LIG 1 -2.374 1.724 -2.845 0.00 0.00 -0.385 OA ATOM 18 H LIG 1 -2.532 1.052 -3.541 0.00 0.00 +0.210 HD ENDBRANCH 1 17 BRANCH 5 19 ATOM 19 O LIG 1 -0.896 -0.144 -4.018 0.00 0.00 -0.386 OA ATOM 20 H LIG 1 -0.223 -0.497 -4.629 0.00 0.00 +0.210 HD ENDBRANCH 5 19 BRANCH 4 21 ATOM 21 C LIG 1 1.835 0.561 -1.493 0.00 0.00 +0.176 C BRANCH 21 22 ATOM 22 C LIG 1 2.795 -0.357 -0.756 0.00 0.00 -0.016 A ATOM 23 C LIG 1 2.862 -0.326 0.647 0.00 0.00 +0.010 A ATOM 24 C LIG 1 3.748 -1.178 1.266 0.00 0.00 -0.044 A ATOM 25 C LIG 1 4.274 -1.625 2.598 0.00 0.00 +0.040 C ATOM 26 C LIG 1 5.189 -2.606 1.794 0.00 0.00 +0.040 C ATOM 27 C LIG 1 4.550 -2.039 0.561 0.00 0.00 -0.044 A ATOM 28 C LIG 1 4.520 -2.105 -0.810 0.00 0.00 +0.004 A ATOM 29 C LIG 1 3.631 -1.253 -1.472 0.00 0.00 +0.006 A ENDBRANCH 21 22 BRANCH 21 30 ATOM 30 O LIG 1 2.560 1.258 -2.510 0.00 0.00 -0.385 OA ATOM 31 H LIG 1 3.449 1.439 -2.152 0.00 0.00 +0.210 HD ENDBRANCH 21 30 ENDBRANCH 4 21 TORSDOF 7