REMARK Name = BDB053876 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.962 -1.243 -1.216 0.00 0.00 +0.002 C ATOM 2 C LIG 1 0.904 -0.238 -0.629 0.00 0.00 -0.010 C ATOM 3 C LIG 1 -0.400 -0.510 -1.493 0.00 0.00 +0.024 C ATOM 4 C LIG 1 -1.738 -0.132 -0.789 0.00 0.00 -0.026 C ATOM 5 C LIG 1 -2.991 -0.391 -1.582 0.00 0.00 +0.142 C ATOM 6 C LIG 1 -4.205 0.401 -1.108 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -4.450 0.243 0.411 0.00 0.00 +0.015 C ATOM 8 C LIG 1 -3.158 0.732 1.200 0.00 0.00 +0.000 C ATOM 9 C LIG 1 -3.187 2.279 1.322 0.00 0.00 +0.019 C ATOM 10 C LIG 1 -4.478 2.847 1.881 0.00 0.00 +0.076 C ATOM 11 C LIG 1 -5.652 2.399 1.047 0.00 0.00 +0.139 C ATOM 12 O LIG 1 -6.454 3.222 0.604 0.00 0.00 -0.297 OA ATOM 13 C LIG 1 -3.149 0.054 2.593 0.00 0.00 +0.016 C ATOM 14 C LIG 1 -5.832 0.890 0.850 0.00 0.00 +0.027 C ATOM 15 C LIG 1 -6.941 0.654 -0.207 0.00 0.00 +0.019 C ATOM 16 C LIG 1 -6.384 0.297 2.165 0.00 0.00 +0.019 C ATOM 17 C LIG 1 -1.837 0.347 0.475 0.00 0.00 +0.004 C ATOM 18 C LIG 1 -0.551 0.463 1.244 0.00 0.00 +0.160 C ATOM 19 O LIG 1 -0.413 1.269 2.164 0.00 0.00 -0.292 OA ATOM 20 C LIG 1 -0.301 0.227 -2.860 0.00 0.00 +0.019 C ATOM 21 C LIG 1 -0.312 -2.041 -1.761 0.00 0.00 +0.125 C ATOM 22 C LIG 1 1.427 1.220 -0.780 0.00 0.00 +0.013 C ATOM 23 C LIG 1 0.576 -0.456 0.849 0.00 0.00 +0.087 C ATOM 24 C LIG 1 1.166 -2.341 -1.964 0.00 0.00 +0.036 C ENDROOT BRANCH 1 25 ATOM 25 C LIG 1 3.125 -1.838 -0.360 0.00 0.00 -0.003 C ATOM 26 C LIG 1 2.697 -2.795 0.762 0.00 0.00 +0.008 C BRANCH 25 27 ATOM 27 C LIG 1 4.105 -0.796 0.215 0.00 0.00 +0.078 C BRANCH 27 28 ATOM 28 C LIG 1 4.954 -0.077 -0.826 0.00 0.00 +0.134 C ATOM 29 O LIG 1 4.859 -0.294 -2.034 0.00 0.00 -0.297 OA BRANCH 28 30 ATOM 30 C LIG 1 5.988 0.901 -0.302 0.00 0.00 +0.088 C BRANCH 30 32 ATOM 31 C LIG 1 8.168 0.229 -1.400 0.00 0.00 +0.019 C ATOM 32 C LIG 1 7.332 0.192 -0.119 0.00 0.00 +0.102 C BRANCH 32 33 ATOM 33 C LIG 1 8.098 0.803 1.033 0.00 0.00 +0.308 C ATOM 34 O LIG 1 9.148 1.421 0.978 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 7.503 0.557 2.221 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 8.108 0.970 2.877 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 BRANCH 5 37 ATOM 37 O LIG 1 -3.258 -1.789 -1.466 0.00 0.00 -0.387 OA ATOM 38 H LIG 1 -4.011 -1.984 -2.053 0.00 0.00 +0.210 HD ENDBRANCH 5 37 BRANCH 21 39 ATOM 39 O LIG 1 -0.780 -2.815 -0.662 0.00 0.00 -0.391 OA ATOM 40 H LIG 1 -1.754 -2.689 -0.656 0.00 0.00 +0.210 HD ENDBRANCH 21 39 TORSDOF 9