REMARK Name = BDB029289 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.155 0.734 -1.102 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.041 0.825 -1.822 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.285 0.668 -3.004 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.093 1.182 -0.861 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.443 1.377 -1.092 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.254 1.706 0.002 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.673 1.831 1.288 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.297 1.632 1.505 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.520 1.302 0.399 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.055 1.025 0.309 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.874 0.051 -1.244 0.00 0.00 -0.039 A ATOM 12 C LIG 1 -2.570 0.370 -0.788 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -1.435 0.397 -1.625 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.620 0.078 -2.970 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.881 -0.264 -3.456 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.984 -0.279 -2.605 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.155 0.059 -0.244 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -6.528 0.574 -0.824 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -6.128 1.998 -0.375 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -5.252 1.319 0.705 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -7.207 2.820 0.126 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -8.077 3.461 0.547 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -5.249 -1.274 0.532 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 -7.862 -2.844 1.203 0.00 0.00 +0.151 C ATOM 25 N LIG 1 -7.017 -3.044 0.057 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -5.860 -2.379 -0.265 0.00 0.00 +0.134 A ATOM 27 N LIG 1 -5.391 -2.889 -1.385 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 -6.252 -3.871 -1.811 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -7.221 -3.956 -0.932 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.686 1.749 2.874 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.633 2.615 2.893 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.546 2.184 3.833 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.189 0.562 3.319 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.742 1.923 -0.184 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 6.546 0.983 0.598 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 6.438 -0.404 0.112 0.00 0.00 +0.091 C ATOM 37 C LIG 1 7.708 -1.029 0.644 0.00 0.00 -0.015 C ATOM 38 C LIG 1 7.670 -2.355 1.372 0.00 0.00 +0.009 C ATOM 39 C LIG 1 8.270 -2.277 -0.001 0.00 0.00 +0.009 C ATOM 40 C LIG 1 8.624 0.061 1.123 0.00 0.00 +0.023 C ATOM 41 C LIG 1 7.976 1.314 0.547 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8