REMARK Name = BDB021651 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.025 -0.037 3.417 0.00 0.00 +0.053 C ATOM 2 C LIG 1 -0.109 -0.028 1.893 0.00 0.00 +0.188 C ATOM 3 O LIG 1 1.237 -0.006 1.421 0.00 0.00 -0.487 OA ATOM 4 C LIG 1 1.494 -0.114 0.083 0.00 0.00 +0.137 A ATOM 5 C LIG 1 0.608 -0.280 -0.988 0.00 0.00 +0.079 A ATOM 6 C LIG 1 1.143 -0.357 -2.291 0.00 0.00 +0.020 A ATOM 7 C LIG 1 2.517 -0.279 -2.523 0.00 0.00 +0.046 A ATOM 8 C LIG 1 3.397 -0.108 -1.462 0.00 0.00 +0.125 A ATOM 9 C LIG 1 -0.880 -0.370 -0.934 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -1.522 0.082 -1.886 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -1.522 -0.979 0.139 0.00 0.00 -0.291 N ATOM 12 C LIG 1 2.881 -0.040 -0.170 0.00 0.00 +0.092 A ATOM 13 C LIG 1 -0.834 -1.273 1.389 0.00 0.00 +0.152 C ENDROOT BRANCH 8 14 ATOM 14 O LIG 1 4.713 -0.051 -1.813 0.00 0.00 -0.486 OA BRANCH 14 15 ATOM 15 C LIG 1 5.652 0.537 -0.897 0.00 0.00 +0.210 C ATOM 16 C LIG 1 6.426 -0.556 -0.150 0.00 0.00 +0.220 C ATOM 17 F LIG 1 5.605 -1.121 0.786 0.00 0.00 -0.240 F ATOM 18 C LIG 1 7.627 0.044 0.586 0.00 0.00 +0.125 C ATOM 19 N LIG 1 8.543 0.841 -0.248 0.00 0.00 -0.297 NA ATOM 20 C LIG 1 7.792 1.899 -0.943 0.00 0.00 +0.088 C ATOM 21 C LIG 1 6.605 1.380 -1.753 0.00 0.00 +0.063 C BRANCH 19 22 ATOM 22 C LIG 1 9.342 0.033 -1.197 0.00 0.00 +0.112 C BRANCH 22 23 ATOM 23 C LIG 1 10.262 -1.008 -0.536 0.00 0.00 +0.171 C BRANCH 23 24 ATOM 24 O LIG 1 9.548 -2.215 -0.280 0.00 0.00 -0.394 OA ATOM 25 H LIG 1 10.157 -2.806 0.195 0.00 0.00 +0.209 HD ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 14 15 ENDBRANCH 8 14 BRANCH 11 26 ATOM 26 C LIG 1 -2.992 -0.955 0.161 0.00 0.00 +0.140 C BRANCH 26 27 ATOM 27 C LIG 1 -3.548 0.366 0.720 0.00 0.00 +0.146 C BRANCH 27 28 ATOM 28 O LIG 1 -3.425 0.363 2.157 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 -4.264 -0.038 2.466 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -5.030 0.618 0.359 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 N LIG 1 -5.940 -0.254 1.141 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 -7.158 0.475 1.563 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -8.159 0.734 0.461 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -8.220 -0.103 -0.667 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -9.185 0.131 -1.656 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -10.097 1.177 -1.517 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -10.050 1.997 -0.393 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.216 -1.213 -0.846 0.00 0.00 +0.051 C ATOM 39 C LIG 1 -9.089 1.775 0.594 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -6.361 -1.465 0.409 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 11 26 TORSDOF 10