REMARK Name = BDB000238 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK 1 -0.572 0.591 -0.849 0.00 0.00 +0.162 C ATOM 2 N UNK 1 0.873 0.460 -0.969 0.00 0.00 -0.285 N ATOM 3 C UNK 1 1.732 1.158 -0.134 0.00 0.00 +0.269 C ATOM 4 O UNK 1 1.321 1.860 0.791 0.00 0.00 -0.268 OA ATOM 5 C UNK 1 1.241 -0.497 -2.003 0.00 0.00 +0.109 C ATOM 6 C UNK 1 -0.070 -1.174 -2.378 0.00 0.00 +0.021 C ATOM 7 C UNK 1 -1.101 -0.078 -2.121 0.00 0.00 +0.033 C ENDROOT BRANCH 3 8 ATOM 8 C UNK 1 3.166 0.999 -0.369 0.00 0.00 +0.164 A ATOM 9 N UNK 1 3.775 0.918 -1.610 0.00 0.00 -0.207 NA ATOM 10 C UNK 1 5.063 0.873 -1.331 0.00 0.00 +0.213 A ATOM 11 O UNK 1 5.352 0.924 0.010 0.00 0.00 -0.445 OA ATOM 12 C UNK 1 4.134 1.029 0.608 0.00 0.00 +0.230 A BRANCH 10 13 ATOM 13 C UNK 1 6.229 0.795 -2.280 0.00 0.00 +0.135 C ATOM 14 C UNK 1 6.510 -0.656 -2.661 0.00 0.00 +0.034 C BRANCH 13 15 ATOM 15 N UNK 1 7.459 1.400 -1.733 0.00 0.00 -0.320 NA ATOM 16 H UNK 1 7.245 2.355 -1.447 0.00 0.00 +0.119 HD ATOM 17 H UNK 1 7.683 0.914 -0.865 0.00 0.00 +0.119 HD ENDBRANCH 13 15 ENDBRANCH 10 13 ENDBRANCH 3 8 BRANCH 1 20 ATOM 18 N UNK 1 -2.490 0.083 0.602 0.00 0.00 -0.301 N ATOM 19 H UNK 1 -3.047 0.338 -0.203 0.00 0.00 +0.150 HD ATOM 20 C UNK 1 -1.129 -0.102 0.418 0.00 0.00 +0.234 C ATOM 21 O UNK 1 -0.449 -0.765 1.196 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C UNK 1 -3.187 -0.562 1.723 0.00 0.00 +0.185 C BRANCH 22 23 ATOM 23 C UNK 1 -4.562 0.107 1.975 0.00 0.00 +0.017 C ATOM 24 C UNK 1 -4.423 1.627 2.150 0.00 0.00 +0.010 C BRANCH 23 26 ATOM 25 C UNK 1 -4.674 -0.359 4.526 0.00 0.00 +0.004 C ATOM 26 C UNK 1 -5.342 -0.503 3.163 0.00 0.00 +0.002 C ENDBRANCH 23 26 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 C UNK 1 -3.357 -2.037 1.345 0.00 0.00 +0.326 C ATOM 28 O UNK 1 -3.546 -2.483 0.220 0.00 0.00 -0.249 OA BRANCH 27 29 ATOM 29 O UNK 1 -3.296 -2.876 2.401 0.00 0.00 -0.479 OA ATOM 30 H UNK 1 -3.317 -3.757 1.978 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 22 27 ENDBRANCH 18 22 ENDBRANCH 1 20 TORSDOF 9