REMARK Name = BDB024260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.007 -2.561 -1.167 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.042 -3.280 -0.313 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.217 -3.009 1.053 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.207 -3.661 1.792 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -4.044 -4.587 1.175 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.889 -4.867 -0.180 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.898 -4.219 -0.919 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.310 -2.121 -0.456 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.898 -1.053 -1.116 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.359 -0.698 -1.898 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.761 -2.711 0.521 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.084 -0.408 -0.770 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.812 -0.813 0.276 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 3.954 -0.132 0.551 0.00 0.00 +0.136 A ATOM 15 C LIG 1 4.445 0.973 -0.150 0.00 0.00 +0.048 A ATOM 16 C LIG 1 3.659 1.349 -1.240 0.00 0.00 +0.028 A ATOM 17 C LIG 1 2.477 0.668 -1.554 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 5.618 1.613 0.174 0.00 0.00 -0.323 N ATOM 19 C LIG 1 6.262 1.467 1.496 0.00 0.00 +0.180 C ATOM 20 C LIG 1 7.190 2.680 1.612 0.00 0.00 +0.266 C ATOM 21 F LIG 1 8.340 2.393 2.254 0.00 0.00 -0.204 F ATOM 22 F LIG 1 6.585 3.688 2.284 0.00 0.00 -0.204 F ATOM 23 C LIG 1 7.444 3.096 0.181 0.00 0.00 +0.096 C ATOM 24 C LIG 1 6.093 2.835 -0.474 0.00 0.00 +0.111 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -1.593 -1.439 -1.975 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -2.309 -1.848 -2.577 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.204 -0.372 -1.159 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -3.741 -0.409 -1.167 0.00 0.00 +0.050 C BRANCH 28 32 ATOM 29 C LIG 1 -5.380 2.722 1.315 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -5.114 1.461 1.857 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -4.589 0.448 1.051 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.327 0.684 -0.306 0.00 0.00 -0.046 A ATOM 33 C LIG 1 -4.591 1.951 -0.843 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -5.116 2.965 -0.037 0.00 0.00 +0.019 A BRANCH 29 36 ATOM 35 N LIG 1 -6.357 4.606 2.806 0.00 0.00 -0.191 NA ATOM 36 C LIG 1 -5.920 3.762 2.140 0.00 0.00 +0.099 C ENDBRANCH 29 36 ENDBRANCH 28 32 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9