REMARK Name = BDB018994 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.157 -0.190 1.771 0.00 0.00 -0.300 N ATOM 2 C LIG 1 1.288 -0.400 0.936 0.00 0.00 +0.038 A ATOM 3 C LIG 1 2.310 -1.302 1.276 0.00 0.00 -0.025 A ATOM 4 C LIG 1 3.396 -1.503 0.405 0.00 0.00 +0.014 A ATOM 5 C LIG 1 3.512 -0.787 -0.794 0.00 0.00 -0.006 A ATOM 6 C LIG 1 2.538 0.166 -1.121 0.00 0.00 +0.027 A ATOM 7 C LIG 1 2.249 -2.103 2.548 0.00 0.00 +0.038 C ATOM 8 C LIG 1 1.328 -1.440 3.557 0.00 0.00 +0.024 C ATOM 9 C LIG 1 1.449 0.349 -0.244 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -0.006 -1.141 2.891 0.00 0.00 +0.111 C ENDROOT BRANCH 1 17 ATOM 11 C LIG 1 -3.130 1.603 1.680 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -3.668 1.122 0.463 0.00 0.00 +0.057 A ATOM 13 C LIG 1 -2.940 0.222 -0.337 0.00 0.00 +0.014 A ATOM 14 C LIG 1 -3.711 -0.057 -1.515 0.00 0.00 +0.062 A ATOM 15 C LIG 1 -4.904 0.620 -1.363 0.00 0.00 +0.099 A ATOM 16 C LIG 1 -1.681 -0.231 0.124 0.00 0.00 +0.034 A ATOM 17 C LIG 1 -1.123 0.248 1.318 0.00 0.00 +0.035 A ATOM 18 N LIG 1 -4.866 1.337 -0.197 0.00 0.00 -0.348 N ATOM 19 C LIG 1 -5.957 2.184 0.232 0.00 0.00 +0.149 C ATOM 20 C LIG 1 -1.855 1.161 2.076 0.00 0.00 +0.033 A BRANCH 14 21 ATOM 21 C LIG 1 -3.398 -0.881 -2.680 0.00 0.00 +0.246 C ATOM 22 N LIG 1 -2.058 -0.934 -3.001 0.00 0.00 -0.314 N ATOM 23 H LIG 1 -1.457 -0.236 -2.585 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 -1.613 -1.569 -4.214 0.00 0.00 +0.128 C ATOM 25 O LIG 1 -4.268 -1.431 -3.350 0.00 0.00 -0.270 OA ENDBRANCH 14 21 BRANCH 11 27 ATOM 26 C LIG 1 -3.750 3.865 2.306 0.00 0.00 +0.012 C ATOM 27 C LIG 1 -3.858 2.547 2.533 0.00 0.00 -0.048 C ATOM 28 C LIG 1 -4.630 1.960 3.677 0.00 0.00 +0.044 C ENDBRANCH 11 27 ENDBRANCH 1 17 BRANCH 5 29 ATOM 29 C LIG 1 4.648 -1.053 -1.653 0.00 0.00 +0.020 A ATOM 30 C LIG 1 5.963 -0.880 -1.278 0.00 0.00 +0.116 A ATOM 31 N LIG 1 6.715 -1.231 -2.362 0.00 0.00 -0.274 N ATOM 32 C LIG 1 8.154 -1.220 -2.463 0.00 0.00 +0.172 C ATOM 33 N LIG 1 5.980 -1.616 -3.421 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 4.721 -1.518 -2.984 0.00 0.00 +0.142 A ENDBRANCH 5 29 BRANCH 6 35 ATOM 35 C LIG 1 2.604 0.984 -2.384 0.00 0.00 +0.372 C ATOM 36 F LIG 1 2.243 0.260 -3.482 0.00 0.00 -0.204 F ATOM 37 F LIG 1 1.762 2.060 -2.375 0.00 0.00 -0.204 F ENDBRANCH 6 35 TORSDOF 5