REMARK Name = BDB055927 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.381 0.229 0.239 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.774 1.275 0.942 0.00 0.00 +0.025 A ATOM 3 C LIG 1 0.400 1.518 0.820 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -0.394 0.736 -0.025 0.00 0.00 +0.031 A ATOM 5 C LIG 1 0.213 -0.333 -0.693 0.00 0.00 +0.025 A ATOM 6 C LIG 1 1.587 -0.578 -0.574 0.00 0.00 +0.025 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 4.228 -1.746 -0.976 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 4.588 -0.889 -0.174 0.00 0.00 +0.251 C ATOM 9 N LIG 1 3.770 0.056 0.418 0.00 0.00 -0.281 N ATOM 10 H LIG 1 4.208 0.714 1.054 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 6.036 -0.854 0.200 0.00 0.00 +0.075 A ATOM 12 C LIG 1 6.573 0.080 1.087 0.00 0.00 +0.170 A ATOM 13 F LIG 1 5.798 1.014 1.662 0.00 0.00 -0.202 F ATOM 14 C LIG 1 7.931 0.059 1.395 0.00 0.00 +0.159 A ATOM 15 F LIG 1 8.434 0.962 2.249 0.00 0.00 -0.202 F ATOM 16 C LIG 1 8.780 -0.885 0.829 0.00 0.00 +0.041 A ATOM 17 C LIG 1 8.261 -1.824 -0.059 0.00 0.00 +0.004 A ATOM 18 C LIG 1 6.898 -1.808 -0.372 0.00 0.00 +0.016 A ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 N LIG 1 -1.786 0.968 -0.091 0.00 0.00 -0.314 N ATOM 20 H LIG 1 -2.039 1.854 0.344 0.00 0.00 +0.152 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.660 0.730 -1.190 0.00 0.00 +0.044 A ATOM 22 C LIG 1 -4.025 0.408 -0.996 0.00 0.00 +0.046 A ATOM 23 C LIG 1 -4.815 0.422 -2.159 0.00 0.00 +0.143 A ATOM 24 N LIG 1 -6.190 0.246 -2.072 0.00 0.00 -0.306 N ATOM 25 H LIG 1 -6.709 0.313 -2.935 0.00 0.00 +0.170 HD ATOM 26 C LIG 1 -6.887 0.081 -0.912 0.00 0.00 +0.258 A ATOM 27 C LIG 1 -6.096 -0.040 0.338 0.00 0.00 +0.047 A ATOM 28 C LIG 1 -6.787 -0.322 1.528 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -6.084 -0.530 2.709 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.697 -0.477 2.691 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -4.013 -0.190 1.501 0.00 0.00 +0.009 A ATOM 32 O LIG 1 -8.112 0.014 -0.905 0.00 0.00 -0.267 OA ATOM 33 N LIG 1 -4.371 0.650 -3.414 0.00 0.00 -0.237 NA ATOM 34 C LIG 1 -3.065 0.919 -3.554 0.00 0.00 +0.115 A ATOM 35 C LIG 1 -4.690 0.074 0.296 0.00 0.00 -0.000 A ATOM 36 C LIG 1 -2.191 0.993 -2.490 0.00 0.00 +0.043 A ENDBRANCH 19 21 ENDBRANCH 4 19 TORSDOF 4