REMARK Name = BDB024875 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.961 -0.125 0.597 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.768 -0.600 1.168 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.901 -1.672 2.178 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.500 -1.137 3.489 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.594 -2.406 2.519 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.737 -2.579 1.284 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.427 -1.206 0.761 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.144 -0.856 0.291 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.011 -1.624 0.230 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.937 -0.854 -0.264 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -0.437 0.403 -0.563 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.895 0.424 -0.190 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.889 1.405 -0.218 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.164 1.048 0.242 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.456 -0.240 0.711 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.078 -0.440 1.001 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.179 1.512 -1.159 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.360 2.691 -0.193 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.312 3.759 -0.766 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.279 3.845 -2.300 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.935 3.405 -2.869 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.622 1.946 -2.530 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.001 5.127 -0.178 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -0.885 5.515 0.127 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.093 5.914 -0.053 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.930 5.510 -0.351 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.001 1.105 -1.115 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.789 0.667 -0.500 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.364 -1.300 -0.473 0.00 0.00 +0.056 C ATOM 30 C LIG 1 -2.541 -1.800 -1.911 0.00 0.00 +0.016 C BRANCH 29 31 ATOM 31 C LIG 1 -2.737 -2.393 0.558 0.00 0.00 +0.046 C BRANCH 31 32 ATOM 32 C LIG 1 -4.218 -2.704 0.598 0.00 0.00 -0.044 A ATOM 33 C LIG 1 -5.112 -1.815 1.212 0.00 0.00 +0.045 A ATOM 34 C LIG 1 -6.474 -2.102 1.232 0.00 0.00 +0.159 A ATOM 35 F LIG 1 -7.317 -1.238 1.816 0.00 0.00 -0.202 F ATOM 36 C LIG 1 -6.957 -3.267 0.651 0.00 0.00 +0.158 A ATOM 37 F LIG 1 -8.270 -3.537 0.669 0.00 0.00 -0.202 F ATOM 38 C LIG 1 -6.084 -4.162 0.042 0.00 0.00 +0.041 A ATOM 39 C LIG 1 -4.715 -3.881 0.015 0.00 0.00 +0.006 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7