REMARK Name = BDB032333 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.483 -0.054 -0.435 0.00 0.00 -0.001 A ATOM 2 C LIG 1 -0.179 1.158 -0.190 0.00 0.00 +0.064 A ATOM 3 C LIG 1 -1.574 1.140 -0.007 0.00 0.00 +0.056 A ATOM 4 C LIG 1 -2.286 -0.057 -0.066 0.00 0.00 +0.122 A ATOM 5 N LIG 1 -1.640 -1.219 -0.270 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 -0.297 -1.202 -0.440 0.00 0.00 +0.118 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.674 -0.058 0.139 0.00 0.00 -0.306 N ATOM 8 C LIG 1 -4.231 -1.426 0.312 0.00 0.00 +0.182 C ATOM 9 C LIG 1 -5.724 -1.434 0.410 0.00 0.00 +0.151 A ATOM 10 N LIG 1 -6.539 -2.409 0.743 0.00 0.00 -0.132 NA ATOM 11 N LIG 1 -7.827 -1.928 0.655 0.00 0.00 -0.125 NA ATOM 12 C LIG 1 -7.776 -0.665 0.268 0.00 0.00 +0.238 A ATOM 13 N LIG 1 -6.463 -0.330 0.088 0.00 0.00 -0.305 N ATOM 14 C LIG 1 -5.883 0.934 -0.313 0.00 0.00 +0.144 C ATOM 15 C LIG 1 -4.441 0.762 -0.817 0.00 0.00 +0.128 C BRANCH 12 16 ATOM 16 C LIG 1 -8.895 0.279 0.045 0.00 0.00 +0.452 C ATOM 17 F LIG 1 -8.707 1.442 0.727 0.00 0.00 -0.163 F ATOM 18 F LIG 1 -8.991 0.629 -1.267 0.00 0.00 -0.163 F ATOM 19 F LIG 1 -10.105 -0.205 0.416 0.00 0.00 -0.163 F ENDBRANCH 12 16 ENDBRANCH 4 7 BRANCH 2 20 ATOM 20 C LIG 1 0.566 2.462 -0.107 0.00 0.00 +0.418 C ATOM 21 F LIG 1 -0.221 3.527 0.206 0.00 0.00 -0.166 F ATOM 22 F LIG 1 1.175 2.784 -1.282 0.00 0.00 -0.166 F ATOM 23 F LIG 1 1.557 2.443 0.829 0.00 0.00 -0.166 F ENDBRANCH 2 20 BRANCH 1 24 ATOM 24 C LIG 1 1.972 -0.169 -0.640 0.00 0.00 +0.139 C BRANCH 24 25 ATOM 25 N LIG 1 2.632 -0.171 0.664 0.00 0.00 -0.339 N ATOM 26 H LIG 1 2.583 0.747 1.104 0.00 0.00 +0.146 HD BRANCH 25 30 ATOM 27 C LIG 1 7.451 0.695 0.053 0.00 0.00 +0.124 A ATOM 28 C LIG 1 6.385 -0.221 0.237 0.00 0.00 +0.023 A ATOM 29 C LIG 1 5.074 0.301 0.381 0.00 0.00 +0.008 A ATOM 30 C LIG 1 3.984 -0.599 0.573 0.00 0.00 +0.035 A ATOM 31 C LIG 1 4.213 -1.983 0.582 0.00 0.00 +0.023 A ATOM 32 C LIG 1 5.495 -2.495 0.444 0.00 0.00 +0.003 A ATOM 33 C LIG 1 4.922 1.698 0.324 0.00 0.00 +0.030 A ATOM 34 C LIG 1 6.032 2.501 0.139 0.00 0.00 +0.113 A ATOM 35 C LIG 1 6.568 -1.624 0.277 0.00 0.00 +0.012 A ATOM 36 N LIG 1 7.281 2.027 0.003 0.00 0.00 -0.240 NA BRANCH 27 37 ATOM 37 N LIG 1 8.777 0.256 -0.092 0.00 0.00 -0.343 N ATOM 38 H LIG 1 8.843 -0.356 -0.898 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 9.050 -0.262 0.737 0.00 0.00 +0.144 HD ENDBRANCH 27 37 ENDBRANCH 25 30 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 7