REMARK Name = BDB058811 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.352 0.178 -0.461 0.00 0.00 +0.021 A ATOM 2 C LIG 1 -2.759 1.089 0.523 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -1.821 1.848 1.221 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -0.462 1.730 0.917 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -0.041 0.843 -0.077 0.00 0.00 +0.122 A ATOM 6 C LIG 1 -0.989 0.071 -0.759 0.00 0.00 +0.057 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.864 -1.793 -0.713 0.00 0.00 +0.037 C ATOM 8 C LIG 1 -3.311 -0.660 -1.190 0.00 0.00 +0.022 C BRANCH 7 10 ATOM 9 C LIG 1 -2.546 -3.502 0.578 0.00 0.00 +0.009 C ATOM 10 C LIG 1 -3.595 -2.399 0.641 0.00 0.00 +0.039 C ENDBRANCH 7 10 BRANCH 7 11 ATOM 11 C LIG 1 -4.860 -2.434 -1.604 0.00 0.00 +0.333 C ATOM 12 O LIG 1 -5.318 -1.968 -2.633 0.00 0.00 -0.245 OA BRANCH 11 13 ATOM 13 O LIG 1 -5.248 -3.643 -1.167 0.00 0.00 -0.477 OA ATOM 14 H LIG 1 -5.896 -3.937 -1.839 0.00 0.00 +0.295 HD ENDBRANCH 11 13 ENDBRANCH 7 11 ENDBRANCH 1 8 BRANCH 2 15 ATOM 15 O LIG 1 -4.077 1.200 0.881 0.00 0.00 -0.487 OA BRANCH 15 16 ATOM 16 C LIG 1 -4.741 2.171 0.066 0.00 0.00 +0.264 C BRANCH 16 17 ATOM 17 C LIG 1 -6.225 1.913 0.157 0.00 0.00 -0.010 A ATOM 18 C LIG 1 -6.862 1.093 -0.788 0.00 0.00 +0.010 A ATOM 19 C LIG 1 -8.229 0.833 -0.690 0.00 0.00 +0.039 A ATOM 20 C LIG 1 -8.958 1.387 0.355 0.00 0.00 +0.123 A ATOM 21 F LIG 1 -10.271 1.136 0.450 0.00 0.00 -0.205 F ATOM 22 C LIG 1 -8.345 2.192 1.308 0.00 0.00 +0.039 A ATOM 23 C LIG 1 -6.978 2.452 1.213 0.00 0.00 +0.010 A ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 2 15 BRANCH 5 24 ATOM 24 O LIG 1 1.251 0.632 -0.472 0.00 0.00 -0.487 OA BRANCH 24 25 ATOM 25 C LIG 1 2.270 1.362 0.208 0.00 0.00 +0.264 C BRANCH 25 26 ATOM 26 C LIG 1 3.606 0.995 -0.393 0.00 0.00 -0.010 A ATOM 27 C LIG 1 4.629 0.457 0.396 0.00 0.00 +0.020 A ATOM 28 C LIG 1 5.891 0.122 -0.153 0.00 0.00 +0.042 A ATOM 29 C LIG 1 6.120 0.337 -1.525 0.00 0.00 +0.075 A ATOM 30 N LIG 1 7.288 0.047 -2.120 0.00 0.00 -0.242 NA ATOM 31 C LIG 1 8.296 -0.483 -1.376 0.00 0.00 +0.148 A ATOM 32 C LIG 1 8.158 -0.725 -0.011 0.00 0.00 +0.078 A ATOM 33 C LIG 1 5.099 0.872 -2.297 0.00 0.00 +0.029 A ATOM 34 C LIG 1 6.948 -0.424 0.609 0.00 0.00 +0.131 A ATOM 35 C LIG 1 3.855 1.202 -1.751 0.00 0.00 +0.009 A BRANCH 31 36 ATOM 36 C LIG 1 9.628 -0.804 -2.041 0.00 0.00 +0.434 C ATOM 37 F LIG 1 10.633 0.014 -1.611 0.00 0.00 -0.164 F ATOM 38 F LIG 1 10.053 -2.073 -1.764 0.00 0.00 -0.164 F ATOM 39 F LIG 1 9.622 -0.706 -3.400 0.00 0.00 -0.164 F ENDBRANCH 31 36 BRANCH 34 40 ATOM 40 O LIG 1 6.697 -0.618 1.945 0.00 0.00 -0.494 OA ATOM 41 C LIG 1 7.719 -1.217 2.733 0.00 0.00 +0.277 C ENDBRANCH 34 40 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 12