REMARK Name = BDB036026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.727 -0.364 1.362 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.369 -0.319 2.229 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.583 -0.887 3.284 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.346 0.605 1.638 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.586 0.975 2.126 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.346 1.874 1.367 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -2.823 2.376 0.150 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.557 1.991 -0.331 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.830 1.090 0.442 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.519 0.495 0.201 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.144 -1.831 0.681 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.940 -1.090 0.573 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.915 -1.125 1.537 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.116 -1.932 2.658 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.289 -2.673 2.808 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.284 -2.621 1.833 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 7.253 -1.074 -0.994 0.00 0.00 +0.120 C ATOM 18 C LIG 1 5.928 -0.351 -0.671 0.00 0.00 +0.051 C ATOM 19 C LIG 1 5.254 -1.756 -0.474 0.00 0.00 +0.060 C ATOM 20 C LIG 1 6.702 -2.282 -0.201 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 4.657 -2.348 -1.825 0.00 0.00 +0.144 A ATOM 22 N LIG 1 4.161 -3.605 -2.041 0.00 0.00 -0.320 N ATOM 23 C LIG 1 4.055 -4.691 -1.106 0.00 0.00 +0.151 C ATOM 24 C LIG 1 3.758 -3.630 -3.341 0.00 0.00 +0.224 A ATOM 25 N LIG 1 3.990 -2.464 -3.895 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 4.554 -1.654 -2.940 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 8.942 0.656 -1.141 0.00 0.00 +0.194 C ATOM 28 O LIG 1 8.454 -0.488 -0.452 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.015 2.512 -1.634 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -1.780 3.481 -2.203 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.890 1.529 -2.567 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.229 3.050 -1.494 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -4.712 2.323 1.852 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 -5.776 2.093 0.859 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -6.992 2.830 1.244 0.00 0.00 +0.088 C ATOM 36 C LIG 1 -8.109 2.692 0.195 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -7.760 3.431 -1.102 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -8.413 1.211 -0.063 0.00 0.00 +0.006 C ATOM 39 C LIG 1 -7.144 0.415 -0.353 0.00 0.00 +0.016 C ATOM 40 C LIG 1 -6.071 0.658 0.711 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7