REMARK Name = BDB037235 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.094 0.855 -1.586 0.00 0.00 +0.256 C ATOM 2 N LIG 1 -0.219 0.828 -1.193 0.00 0.00 -0.221 N ATOM 3 H LIG 1 -0.445 1.261 -0.312 0.00 0.00 +0.166 HD ATOM 4 O LIG 1 1.482 0.799 -2.748 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 4.318 1.682 0.205 0.00 0.00 +0.126 A ATOM 6 C LIG 1 4.042 1.248 1.515 0.00 0.00 +0.016 A ATOM 7 C LIG 1 2.797 0.659 1.800 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.828 0.519 0.807 0.00 0.00 +0.013 A ATOM 9 C LIG 1 2.093 0.977 -0.487 0.00 0.00 +0.041 A ATOM 10 C LIG 1 3.340 1.546 -0.786 0.00 0.00 +0.059 A BRANCH 5 12 ATOM 11 C LIG 1 5.905 2.598 -1.325 0.00 0.00 +0.277 C ATOM 12 O LIG 1 5.561 2.220 0.004 0.00 0.00 -0.495 OA ENDBRANCH 5 12 BRANCH 6 13 ATOM 13 C LIG 1 5.069 1.359 2.619 0.00 0.00 +0.182 C BRANCH 13 14 ATOM 14 N LIG 1 5.749 0.090 2.836 0.00 0.00 -0.267 N ATOM 15 N LIG 1 5.320 -0.752 3.805 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.174 -1.776 3.730 0.00 0.00 +0.134 A ATOM 17 C LIG 1 7.148 -1.594 2.732 0.00 0.00 +0.041 A ATOM 18 C LIG 1 6.851 -0.374 2.174 0.00 0.00 +0.108 A ENDBRANCH 13 14 ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 19 ATOM 19 S LIG 1 -1.426 1.170 -2.336 0.00 0.00 +0.157 S ATOM 20 O LIG 1 -1.389 2.613 -2.370 0.00 0.00 -0.223 OA ATOM 21 N LIG 1 -1.193 0.197 -3.494 0.00 0.00 -0.232 NA ATOM 22 H LIG 1 -0.215 0.281 -3.800 0.00 0.00 +0.199 HD BRANCH 19 23 ATOM 23 C LIG 1 -2.952 0.654 -1.585 0.00 0.00 +0.107 A ATOM 24 C LIG 1 -4.123 1.386 -1.728 0.00 0.00 +0.138 A ATOM 25 C LIG 1 -5.271 0.971 -1.057 0.00 0.00 +0.047 A ATOM 26 C LIG 1 -5.262 -0.196 -0.282 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -4.104 -0.978 -0.152 0.00 0.00 -0.038 A ATOM 28 C LIG 1 -2.947 -0.526 -0.819 0.00 0.00 +0.027 A BRANCH 27 29 ATOM 29 C LIG 1 -4.066 -2.282 0.673 0.00 0.00 +0.013 C ATOM 30 C LIG 1 -3.671 -3.457 -0.251 0.00 0.00 +0.018 C ATOM 31 C LIG 1 -2.998 -2.139 1.784 0.00 0.00 +0.018 C BRANCH 29 32 ATOM 32 C LIG 1 -5.401 -2.640 1.395 0.00 0.00 +0.166 C BRANCH 32 33 ATOM 33 O LIG 1 -6.470 -2.940 0.503 0.00 0.00 -0.394 OA ATOM 34 H LIG 1 -6.246 -3.755 0.023 0.00 0.00 +0.209 HD ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 27 29 BRANCH 24 35 ATOM 35 O LIG 1 -4.195 2.541 -2.452 0.00 0.00 -0.494 OA ATOM 36 C LIG 1 -4.600 2.266 -3.795 0.00 0.00 +0.277 C ENDBRANCH 24 35 ENDBRANCH 19 23 ENDBRANCH 2 19 TORSDOF 10