REMARK Name = BDB029322 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.167 -0.821 1.302 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.737 0.029 0.276 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.305 0.446 -0.718 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 0.651 0.399 0.583 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.508 1.209 -0.141 0.00 0.00 +0.018 A ATOM 6 C LIG 1 2.802 1.406 0.359 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.179 0.791 1.579 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.295 -0.031 2.303 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.020 -0.213 1.774 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.126 -1.013 2.303 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.764 -1.736 0.573 0.00 0.00 -0.039 A ATOM 12 C LIG 1 -3.454 -1.210 0.471 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -2.455 -1.409 1.434 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.778 -2.200 2.542 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.056 -2.740 2.685 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.034 -2.501 1.719 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.887 -1.423 -0.552 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -6.798 -2.642 -0.974 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -5.775 -2.954 -2.090 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -5.414 -1.451 -2.057 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -6.330 -3.437 -3.333 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -6.783 -3.811 -4.334 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -6.747 -0.201 -0.164 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 -4.979 1.902 -1.740 0.00 0.00 +0.151 C ATOM 25 N LIG 1 -5.243 1.865 -0.328 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -6.014 0.979 0.379 0.00 0.00 +0.134 A ATOM 27 N LIG 1 -6.019 1.356 1.645 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 -5.225 2.469 1.771 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -4.757 2.756 0.581 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 2.705 -0.695 3.588 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.884 -0.365 4.623 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.659 -2.053 3.501 0.00 0.00 -0.166 F ATOM 33 F LIG 1 3.966 -0.386 3.995 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 3.782 2.296 -0.385 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 5.097 1.654 -0.584 0.00 0.00 -0.296 NA ATOM 36 C LIG 1 6.089 2.695 -0.967 0.00 0.00 +0.116 C ATOM 37 C LIG 1 7.570 2.249 -1.030 0.00 0.00 +0.133 C ATOM 38 O LIG 1 7.750 1.166 -1.955 0.00 0.00 -0.372 OA ATOM 39 C LIG 1 7.490 -0.042 -1.223 0.00 0.00 +0.120 C ATOM 40 C LIG 1 7.751 0.256 0.255 0.00 0.00 +0.034 C ATOM 41 C LIG 1 6.058 -0.501 -1.490 0.00 0.00 +0.047 C ATOM 42 C LIG 1 8.111 1.722 0.285 0.00 0.00 +0.035 C ATOM 43 C LIG 1 5.019 0.618 -1.634 0.00 0.00 +0.087 C ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8