REMARK Name = BDB038987 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.697 -0.025 0.795 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.525 -0.756 0.709 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.312 -0.031 0.351 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.133 -0.905 0.006 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.198 -2.315 0.090 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.097 -3.106 -0.265 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.110 -2.534 -0.677 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.177 -1.137 -0.719 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -1.188 -0.246 -1.028 0.00 0.00 -0.327 N ATOM 10 C LIG 1 -0.647 1.027 -1.005 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.597 0.989 -0.569 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 3.489 -2.978 0.503 0.00 0.00 +0.054 C ATOM 13 C LIG 1 0.911 -0.334 -0.403 0.00 0.00 +0.094 A ATOM 14 C LIG 1 4.352 -2.051 1.355 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.801 1.145 0.448 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.341 2.293 -1.437 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.276 3.367 -0.331 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -0.143 4.365 -0.553 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -0.284 5.101 -1.887 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -0.975 4.275 -2.973 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -0.749 2.782 -2.775 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 7.958 -0.027 1.406 0.00 0.00 +0.282 C ATOM 23 O LIG 1 6.730 -0.749 1.309 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -2.541 -0.622 -1.394 0.00 0.00 +0.132 C BRANCH 24 25 ATOM 25 C LIG 1 -3.570 -0.728 -0.235 0.00 0.00 +0.049 C BRANCH 25 26 ATOM 26 C LIG 1 -3.268 -1.898 0.695 0.00 0.00 -0.039 A ATOM 27 C LIG 1 -3.813 -3.162 0.407 0.00 0.00 +0.045 A ATOM 28 C LIG 1 -3.535 -4.253 1.229 0.00 0.00 +0.159 A ATOM 29 F LIG 1 -4.060 -5.449 0.925 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -2.718 -4.108 2.340 0.00 0.00 +0.158 A ATOM 31 F LIG 1 -2.446 -5.162 3.122 0.00 0.00 -0.202 F ATOM 32 C LIG 1 -2.169 -2.870 2.644 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -2.441 -1.769 1.825 0.00 0.00 +0.007 A ENDBRANCH 25 26 BRANCH 25 34 ATOM 34 C LIG 1 -3.806 0.614 0.478 0.00 0.00 +0.130 C BRANCH 34 35 ATOM 35 C LIG 1 -4.953 0.551 1.458 0.00 0.00 +0.305 C ATOM 36 O LIG 1 -4.812 0.457 2.666 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -6.170 0.615 0.874 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -6.166 0.734 -0.092 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 25 34 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8