REMARK Name = BDB027230 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.870 0.394 1.149 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.351 0.854 0.636 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.326 2.110 0.021 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -0.767 2.899 -0.112 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.940 2.440 0.382 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.016 1.206 1.024 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.109 3.327 0.199 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -2.949 4.728 0.179 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -4.040 5.585 0.012 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -5.310 5.051 -0.145 0.00 0.00 +0.123 A ATOM 11 F LIG 1 -6.357 5.869 -0.307 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -5.507 3.677 -0.142 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -4.413 2.821 0.026 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 14 ATOM 14 N LIG 1 1.526 0.088 0.793 0.00 0.00 -0.327 N ATOM 15 C LIG 1 2.399 0.030 -0.400 0.00 0.00 +0.129 C ATOM 16 C LIG 1 3.431 -1.134 -0.226 0.00 0.00 +0.056 C ATOM 17 C LIG 1 3.941 -1.215 1.236 0.00 0.00 +0.027 C ATOM 18 C LIG 1 3.726 0.099 1.980 0.00 0.00 +0.021 C ATOM 19 C LIG 1 2.240 0.474 2.035 0.00 0.00 +0.105 C BRANCH 16 20 ATOM 20 N LIG 1 2.805 -2.445 -0.538 0.00 0.00 -0.322 NA ATOM 21 H LIG 1 2.542 -2.439 -1.527 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 1.928 -2.498 -0.019 0.00 0.00 +0.119 HD ENDBRANCH 16 20 BRANCH 16 23 ATOM 23 C LIG 1 4.615 -0.914 -1.203 0.00 0.00 +0.183 C BRANCH 23 24 ATOM 24 O LIG 1 4.118 -0.783 -2.542 0.00 0.00 -0.369 OA BRANCH 24 25 ATOM 25 C LIG 1 5.149 -0.868 -3.542 0.00 0.00 +0.273 C BRANCH 25 26 ATOM 26 C LIG 1 6.204 0.237 -3.510 0.00 0.00 +0.413 C ATOM 27 F LIG 1 5.641 1.465 -3.470 0.00 0.00 -0.168 F ATOM 28 F LIG 1 6.989 0.180 -4.610 0.00 0.00 -0.168 F ATOM 29 F LIG 1 7.012 0.118 -2.432 0.00 0.00 -0.168 F ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 16 23 ENDBRANCH 2 14 BRANCH 1 30 ATOM 30 C LIG 1 -1.009 -0.963 1.795 0.00 0.00 +0.161 C BRANCH 30 35 ATOM 31 C LIG 1 -4.671 -3.675 0.151 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -3.384 -3.112 0.153 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -2.308 -3.239 -0.704 0.00 0.00 -0.231 NA ATOM 34 C LIG 1 -1.377 -2.462 -0.190 0.00 0.00 +0.202 A ATOM 35 N LIG 1 -1.796 -1.858 0.966 0.00 0.00 -0.310 N ATOM 36 C LIG 1 -3.080 -2.263 1.205 0.00 0.00 +0.166 A ATOM 37 N LIG 1 -3.879 -1.915 2.227 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -5.077 -2.526 2.126 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -5.509 -3.376 1.169 0.00 0.00 -0.219 NA BRANCH 31 40 ATOM 40 N LIG 1 -5.121 -4.541 -0.838 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -5.879 -5.128 -0.516 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -4.370 -4.980 -1.360 0.00 0.00 +0.144 HD ENDBRANCH 31 40 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 10