REMARK Name = BDB064933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.136 -0.913 0.420 0.00 0.00 -0.267 N ATOM 2 C LIG 1 0.090 -1.314 1.335 0.00 0.00 +0.338 A ATOM 3 O LIG 1 0.039 -2.254 2.114 0.00 0.00 -0.246 OA ATOM 4 N LIG 1 -0.923 -0.345 1.135 0.00 0.00 -0.267 N ATOM 5 C LIG 1 -0.531 0.575 0.185 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -1.411 1.668 -0.176 0.00 0.00 +0.080 A ATOM 7 C LIG 1 -2.613 1.740 0.435 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -3.010 0.744 1.429 0.00 0.00 -0.016 A ATOM 9 C LIG 1 -2.149 -0.245 1.737 0.00 0.00 +0.101 A ATOM 10 C LIG 1 0.697 0.235 -0.240 0.00 0.00 +0.123 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.553 -1.768 -0.956 0.00 0.00 -0.034 A ATOM 12 C LIG 1 3.275 -1.186 -0.762 0.00 0.00 +0.030 A ATOM 13 C LIG 1 2.382 -1.582 0.250 0.00 0.00 +0.051 A ATOM 14 C LIG 1 2.781 -2.635 1.077 0.00 0.00 +0.026 A ATOM 15 C LIG 1 4.027 -3.244 0.915 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.900 -2.809 -0.080 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.553 -1.226 -2.094 0.00 0.00 +0.049 C ATOM 18 C LIG 1 6.444 -2.275 -2.812 0.00 0.00 +0.174 C ATOM 19 O LIG 1 6.127 -1.712 -4.107 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 4.992 -1.016 -3.528 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 6.391 -0.037 -1.575 0.00 0.00 +0.092 C BRANCH 21 24 ATOM 22 C LIG 1 6.069 1.065 1.329 0.00 0.00 +0.151 C ATOM 23 N LIG 1 5.406 1.557 0.152 0.00 0.00 -0.320 N ATOM 24 C LIG 1 5.539 1.108 -1.137 0.00 0.00 +0.134 A ATOM 25 N LIG 1 4.738 1.816 -1.908 0.00 0.00 -0.135 NA ATOM 26 N LIG 1 4.064 2.716 -1.120 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 4.480 2.553 0.113 0.00 0.00 +0.224 A ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 6 28 ATOM 28 C LIG 1 -0.950 2.655 -1.203 0.00 0.00 +0.419 C ATOM 29 F LIG 1 -0.650 2.056 -2.384 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.166 3.314 -0.797 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.882 3.605 -1.475 0.00 0.00 -0.166 F ENDBRANCH 6 28 BRANCH 8 32 ATOM 32 C LIG 1 -4.366 0.884 2.084 0.00 0.00 +0.121 C BRANCH 32 33 ATOM 33 N LIG 1 -5.473 0.874 1.125 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -6.755 1.196 1.772 0.00 0.00 +0.091 C ATOM 35 C LIG 1 -7.758 0.619 0.800 0.00 0.00 -0.015 C ATOM 36 C LIG 1 -8.940 1.440 0.332 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -9.160 0.282 1.261 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -7.038 -0.276 -0.168 0.00 0.00 +0.023 C ATOM 39 C LIG 1 -5.667 -0.432 0.479 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 7