REMARK Name = BDB013742 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.355 -0.934 -0.488 0.00 0.00 +0.106 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.032 -0.858 0.157 0.00 0.00 -0.028 A ATOM 3 C LIG 1 1.389 0.164 1.054 0.00 0.00 +0.007 A ATOM 4 C LIG 1 2.662 0.203 1.628 0.00 0.00 +0.028 A ATOM 5 C LIG 1 3.595 -0.780 1.299 0.00 0.00 +0.094 A ATOM 6 C LIG 1 3.263 -1.812 0.421 0.00 0.00 +0.028 A ATOM 7 C LIG 1 1.988 -1.845 -0.148 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 S LIG 1 5.220 -0.745 2.020 0.00 0.00 +0.025 S ATOM 9 O LIG 1 5.230 0.282 3.047 0.00 0.00 -0.164 OA ATOM 10 O LIG 1 5.562 -2.117 2.350 0.00 0.00 -0.164 OA BRANCH 8 11 ATOM 11 C LIG 1 6.319 -0.199 0.734 0.00 0.00 +0.094 A ATOM 12 C LIG 1 7.173 -1.112 0.111 0.00 0.00 +0.027 A ATOM 13 C LIG 1 8.031 -0.668 -0.896 0.00 0.00 +0.002 A ATOM 14 C LIG 1 8.037 0.678 -1.267 0.00 0.00 +0.000 A ATOM 15 C LIG 1 7.190 1.587 -0.631 0.00 0.00 +0.002 A ATOM 16 C LIG 1 6.329 1.153 0.376 0.00 0.00 +0.027 A ENDBRANCH 8 11 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 N LIG 1 -0.535 -0.059 -1.686 0.00 0.00 -0.300 NA ATOM 18 C LIG 1 0.334 -0.433 -2.800 0.00 0.00 +0.105 C ATOM 19 C LIG 1 -0.450 1.375 -1.424 0.00 0.00 +0.105 C ENDBRANCH 1 17 BRANCH 1 21 ATOM 20 C LIG 1 -1.579 -1.954 1.527 0.00 0.00 +0.030 C ATOM 21 C LIG 1 -1.544 -0.780 0.543 0.00 0.00 +0.090 C BRANCH 21 22 ATOM 22 N LIG 1 -2.814 -0.731 -0.193 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -2.669 -0.582 -1.198 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.932 -0.071 0.288 0.00 0.00 +0.166 A ATOM 25 C LIG 1 -4.928 0.387 -0.716 0.00 0.00 +0.117 A ATOM 26 C LIG 1 -6.069 1.012 -0.274 0.00 0.00 +0.070 A ATOM 27 C LIG 1 -6.997 1.435 -1.227 0.00 0.00 +0.017 A ATOM 28 C LIG 1 -6.730 1.216 -2.578 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -5.544 0.584 -2.926 0.00 0.00 +0.111 A ATOM 30 C LIG 1 -6.264 1.220 1.162 0.00 0.00 +0.276 A ATOM 31 O LIG 1 -7.301 1.755 1.547 0.00 0.00 -0.266 OA ATOM 32 N LIG 1 -5.233 0.796 1.994 0.00 0.00 -0.230 N ATOM 33 C LIG 1 -5.356 0.939 3.434 0.00 0.00 +0.176 C ATOM 34 N LIG 1 -4.626 0.164 -2.028 0.00 0.00 -0.251 NA ATOM 35 N LIG 1 -4.103 0.144 1.562 0.00 0.00 -0.151 NA ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 7