REMARK Name = BDB026062 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.558 -1.242 -0.261 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.079 0.020 -0.285 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.470 0.123 -0.187 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.271 -1.026 -0.053 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.615 -2.269 -0.031 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.323 -3.401 0.108 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.229 -2.384 -0.133 0.00 0.00 +0.064 A ENDROOT BRANCH 1 12 ATOM 8 N LIG 1 -4.949 -0.934 -0.007 0.00 0.00 -0.298 NA ATOM 9 C LIG 1 -4.056 -1.992 0.492 0.00 0.00 +0.078 C ATOM 10 C LIG 1 -3.777 -2.780 -0.785 0.00 0.00 +0.026 C ATOM 11 C LIG 1 -2.564 -2.074 -1.420 0.00 0.00 +0.110 C ATOM 12 N LIG 1 -1.956 -1.274 -0.343 0.00 0.00 -0.327 N ATOM 13 C LIG 1 -5.063 -2.664 -1.603 0.00 0.00 +0.022 C ATOM 14 C LIG 1 -2.649 -1.557 0.925 0.00 0.00 +0.124 C ATOM 15 C LIG 1 -5.897 -1.594 -0.900 0.00 0.00 +0.085 C BRANCH 8 16 ATOM 16 C LIG 1 -5.545 -0.054 0.994 0.00 0.00 +0.084 C BRANCH 16 18 ATOM 17 C LIG 1 -6.946 0.316 3.056 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -6.353 -0.723 2.114 0.00 0.00 +0.012 C ENDBRANCH 16 18 ENDBRANCH 8 16 ENDBRANCH 1 12 BRANCH 4 19 ATOM 19 C LIG 1 3.733 -0.921 0.063 0.00 0.00 +0.021 A ATOM 20 C LIG 1 4.372 0.040 0.821 0.00 0.00 +0.124 A ATOM 21 N LIG 1 5.713 0.159 0.949 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 6.488 -0.717 0.290 0.00 0.00 +0.218 A ATOM 23 N LIG 1 5.967 -1.691 -0.474 0.00 0.00 -0.222 NA ATOM 24 C LIG 1 4.620 -1.770 -0.568 0.00 0.00 +0.124 A BRANCH 22 25 ATOM 25 N LIG 1 7.874 -0.637 0.434 0.00 0.00 -0.295 N ATOM 26 C LIG 1 8.624 -1.243 -0.677 0.00 0.00 +0.136 C ATOM 27 C LIG 1 10.131 -1.191 -0.382 0.00 0.00 +0.179 C ATOM 28 O LIG 1 10.570 0.149 -0.105 0.00 0.00 -0.377 OA ATOM 29 C LIG 1 9.876 0.662 1.044 0.00 0.00 +0.179 C ATOM 30 C LIG 1 8.356 0.697 0.822 0.00 0.00 +0.136 C ENDBRANCH 22 25 ENDBRANCH 4 19 BRANCH 2 31 ATOM 31 N LIG 1 -0.794 1.118 -0.428 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -1.764 0.810 -0.523 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -0.498 2.455 -0.422 0.00 0.00 +0.250 C ATOM 34 O LIG 1 0.597 2.974 -0.249 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -1.714 3.304 -0.578 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -2.555 3.322 -1.771 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -3.650 4.108 -1.791 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -3.997 4.955 -0.623 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -4.997 5.661 -0.627 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -3.127 4.895 0.436 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -3.351 5.489 1.227 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -2.011 4.096 0.466 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -2.148 2.509 -2.961 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -0.852 2.705 -3.304 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.886 2.808 -4.064 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -2.315 1.182 -2.743 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 8