REMARK Name = BDB050381 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.175 0.666 0.958 0.00 0.00 -0.491 OA ENDROOT BRANCH 1 10 ATOM 2 C LIG 1 5.928 -1.205 -1.009 0.00 0.00 +0.211 C ATOM 3 C LIG 1 5.222 -0.641 -2.208 0.00 0.00 +0.327 C ATOM 4 O LIG 1 5.759 -0.554 -3.309 0.00 0.00 -0.249 OA ATOM 5 O LIG 1 3.930 -0.170 -2.001 0.00 0.00 -0.425 OA ATOM 6 C LIG 1 3.250 -0.413 -0.792 0.00 0.00 +0.138 A ATOM 7 C LIG 1 3.731 -1.349 0.118 0.00 0.00 -0.003 A ATOM 8 C LIG 1 2.999 -1.589 1.280 0.00 0.00 +0.011 A ATOM 9 C LIG 1 1.818 -0.880 1.514 0.00 0.00 +0.046 A ATOM 10 C LIG 1 1.346 0.065 0.595 0.00 0.00 +0.124 A ATOM 11 C LIG 1 2.068 0.295 -0.573 0.00 0.00 +0.092 A ATOM 12 C LIG 1 4.992 -2.091 -0.199 0.00 0.00 +0.065 C BRANCH 2 13 ATOM 13 C LIG 1 6.583 -0.169 -0.135 0.00 0.00 +0.321 C ATOM 14 O LIG 1 7.227 -0.456 0.869 0.00 0.00 -0.250 OA BRANCH 13 16 ATOM 15 C LIG 1 6.979 2.112 0.235 0.00 0.00 +0.280 C ATOM 16 O LIG 1 6.378 1.099 -0.575 0.00 0.00 -0.467 OA ENDBRANCH 13 16 ENDBRANCH 2 13 ENDBRANCH 1 10 BRANCH 1 17 ATOM 17 C LIG 1 -0.373 1.691 0.122 0.00 0.00 +0.235 C BRANCH 17 18 ATOM 18 C LIG 1 -1.232 1.111 -1.001 0.00 0.00 +0.100 C BRANCH 18 19 ATOM 19 C LIG 1 -2.516 0.549 -0.501 0.00 0.00 +0.086 A ATOM 20 C LIG 1 -2.790 -0.697 0.020 0.00 0.00 +0.126 A ATOM 21 C LIG 1 -1.998 -1.908 0.295 0.00 0.00 +0.088 C ATOM 22 O LIG 1 -4.117 -0.734 0.342 0.00 0.00 -0.440 OA ATOM 23 C LIG 1 -4.588 0.505 -0.007 0.00 0.00 +0.228 A ATOM 24 N LIG 1 -3.668 1.304 -0.515 0.00 0.00 -0.214 NA BRANCH 23 25 ATOM 25 C LIG 1 -6.006 0.764 0.226 0.00 0.00 +0.040 A ATOM 26 C LIG 1 -6.544 2.012 -0.115 0.00 0.00 +0.051 A ATOM 27 C LIG 1 -7.893 2.274 0.101 0.00 0.00 +0.124 A ATOM 28 F LIG 1 -8.393 3.471 -0.230 0.00 0.00 -0.205 F ATOM 29 C LIG 1 -8.732 1.314 0.654 0.00 0.00 +0.038 A ATOM 30 C LIG 1 -8.213 0.069 0.999 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.857 -0.204 0.786 0.00 0.00 +0.013 A ENDBRANCH 23 25 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 7