REMARK Name = BDB032363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.949 -1.356 -1.774 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -0.152 -0.768 -0.644 0.00 0.00 -0.041 A ATOM 3 C LIG 1 -0.723 -0.483 0.602 0.00 0.00 -0.009 A ATOM 4 C LIG 1 0.110 0.088 1.556 0.00 0.00 +0.118 A ATOM 5 N LIG 1 1.425 0.350 1.375 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 1.991 0.044 0.192 0.00 0.00 +0.122 A ATOM 7 C LIG 1 1.214 -0.499 -0.833 0.00 0.00 +0.047 A ENDROOT BRANCH 6 8 ATOM 8 N LIG 1 3.349 0.319 -0.001 0.00 0.00 -0.303 N ATOM 9 C LIG 1 4.197 -0.746 -0.580 0.00 0.00 +0.092 C ATOM 10 C LIG 1 4.433 -1.893 0.412 0.00 0.00 +0.030 C ATOM 11 C LIG 1 5.530 -0.134 -1.068 0.00 0.00 +0.147 C ATOM 12 N LIG 1 6.124 0.752 -0.090 0.00 0.00 -0.305 N ATOM 13 C LIG 1 5.419 1.358 0.911 0.00 0.00 +0.151 A ATOM 14 N LIG 1 6.238 2.108 1.614 0.00 0.00 -0.132 NA ATOM 15 N LIG 1 7.492 2.002 1.053 0.00 0.00 -0.125 NA ATOM 16 C LIG 1 7.417 1.186 0.015 0.00 0.00 +0.238 A ATOM 17 C LIG 1 3.960 1.096 1.107 0.00 0.00 +0.183 C BRANCH 16 18 ATOM 18 C LIG 1 8.494 0.769 -0.911 0.00 0.00 +0.452 C ATOM 19 F LIG 1 8.760 -0.561 -0.793 0.00 0.00 -0.163 F ATOM 20 F LIG 1 9.664 1.425 -0.724 0.00 0.00 -0.163 F ATOM 21 F LIG 1 8.135 0.963 -2.210 0.00 0.00 -0.163 F ENDBRANCH 16 18 ENDBRANCH 6 8 BRANCH 3 22 ATOM 22 C LIG 1 -2.171 -0.718 0.941 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 N LIG 1 -2.892 0.554 0.884 0.00 0.00 -0.339 N ATOM 24 H LIG 1 -2.630 1.091 0.064 0.00 0.00 +0.146 HD BRANCH 23 25 ATOM 25 C LIG 1 -4.296 0.397 0.993 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -5.174 0.528 -0.126 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -6.563 0.305 0.054 0.00 0.00 +0.023 A ATOM 28 C LIG 1 -7.413 0.441 -1.073 0.00 0.00 +0.124 A ATOM 29 N LIG 1 -6.970 0.764 -2.299 0.00 0.00 -0.240 NA ATOM 30 C LIG 1 -5.653 0.971 -2.449 0.00 0.00 +0.113 A ATOM 31 C LIG 1 -7.038 -0.046 1.340 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -6.174 -0.183 2.422 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -4.735 0.866 -1.420 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -4.814 0.031 2.245 0.00 0.00 +0.023 A BRANCH 28 35 ATOM 35 N LIG 1 -8.800 0.241 -0.973 0.00 0.00 -0.343 N ATOM 36 H LIG 1 -8.982 -0.701 -0.643 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 -9.184 0.903 -0.306 0.00 0.00 +0.144 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 6