REMARK Name = BDB058812 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.753 0.313 -0.298 0.00 0.00 +0.122 A ATOM 2 C LIG 1 -1.251 -0.660 0.566 0.00 0.00 +0.057 A ATOM 3 C LIG 1 -2.620 -0.981 0.559 0.00 0.00 +0.021 A ATOM 4 C LIG 1 -3.502 -0.321 -0.318 0.00 0.00 +0.128 A ATOM 5 C LIG 1 -2.997 0.661 -1.170 0.00 0.00 +0.050 A ATOM 6 C LIG 1 -1.632 0.969 -1.160 0.00 0.00 +0.049 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.115 -2.008 1.486 0.00 0.00 +0.022 C ATOM 8 C LIG 1 -2.926 -3.331 1.331 0.00 0.00 +0.034 C ATOM 9 C LIG 1 -2.159 -4.019 0.245 0.00 0.00 +0.051 C BRANCH 8 10 ATOM 10 C LIG 1 -3.506 -4.241 2.346 0.00 0.00 +0.333 C ATOM 11 O LIG 1 -2.880 -5.147 2.870 0.00 0.00 -0.245 OA BRANCH 10 12 ATOM 12 O LIG 1 -4.811 -3.997 2.583 0.00 0.00 -0.477 OA ATOM 13 H LIG 1 -5.192 -3.323 1.988 0.00 0.00 +0.295 HD ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 3 7 BRANCH 1 14 ATOM 14 O LIG 1 0.549 0.716 -0.397 0.00 0.00 -0.487 OA BRANCH 14 15 ATOM 15 C LIG 1 1.494 0.095 0.475 0.00 0.00 +0.264 C BRANCH 15 21 ATOM 16 C LIG 1 6.472 -0.390 0.066 0.00 0.00 +0.131 A ATOM 17 C LIG 1 5.302 0.402 0.065 0.00 0.00 +0.042 A ATOM 18 C LIG 1 5.454 1.788 -0.128 0.00 0.00 +0.075 A ATOM 19 C LIG 1 4.322 2.589 -0.125 0.00 0.00 +0.029 A ATOM 20 C LIG 1 3.041 2.060 0.059 0.00 0.00 +0.009 A ATOM 21 C LIG 1 2.865 0.687 0.237 0.00 0.00 -0.010 A ATOM 22 N LIG 1 6.651 2.368 -0.310 0.00 0.00 -0.242 NA ATOM 23 C LIG 1 7.769 1.592 -0.316 0.00 0.00 +0.148 A ATOM 24 C LIG 1 4.003 -0.130 0.249 0.00 0.00 +0.020 A ATOM 25 C LIG 1 7.712 0.214 -0.123 0.00 0.00 +0.078 A BRANCH 23 26 ATOM 26 C LIG 1 9.130 2.252 -0.501 0.00 0.00 +0.434 C ATOM 27 F LIG 1 9.796 2.410 0.680 0.00 0.00 -0.164 F ATOM 28 F LIG 1 9.084 3.486 -1.076 0.00 0.00 -0.164 F ATOM 29 F LIG 1 9.965 1.511 -1.290 0.00 0.00 -0.164 F ENDBRANCH 23 26 BRANCH 16 31 ATOM 30 C LIG 1 7.447 -2.569 0.267 0.00 0.00 +0.277 C ATOM 31 O LIG 1 6.293 -1.738 0.263 0.00 0.00 -0.494 OA ENDBRANCH 16 31 ENDBRANCH 15 21 ENDBRANCH 14 15 ENDBRANCH 1 14 BRANCH 4 32 ATOM 32 O LIG 1 -4.821 -0.692 -0.240 0.00 0.00 -0.487 OA BRANCH 32 33 ATOM 33 C LIG 1 -5.707 -0.294 -1.291 0.00 0.00 +0.264 C BRANCH 33 34 ATOM 34 C LIG 1 -6.336 1.063 -1.061 0.00 0.00 -0.010 A ATOM 35 C LIG 1 -6.582 1.545 0.235 0.00 0.00 +0.010 A ATOM 36 C LIG 1 -7.189 2.788 0.426 0.00 0.00 +0.039 A ATOM 37 C LIG 1 -7.563 3.544 -0.677 0.00 0.00 +0.123 A ATOM 38 F LIG 1 -8.148 4.735 -0.493 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -7.345 3.081 -1.968 0.00 0.00 +0.039 A ATOM 40 C LIG 1 -6.737 1.839 -2.161 0.00 0.00 +0.010 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 4 32 TORSDOF 11