REMARK Name = BDB038901 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.070 0.704 0.154 0.00 0.00 +0.051 A ATOM 2 C LIG 1 0.369 -0.425 -0.265 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -1.030 -0.419 -0.283 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -1.756 0.716 0.118 0.00 0.00 +0.003 A ATOM 5 C LIG 1 -1.028 1.857 0.497 0.00 0.00 +0.012 A ATOM 6 C LIG 1 0.371 1.857 0.513 0.00 0.00 +0.025 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.221 0.740 0.115 0.00 0.00 +0.096 A ATOM 8 C LIG 1 -4.031 -0.268 0.654 0.00 0.00 +0.074 A ATOM 9 N LIG 1 -3.703 -1.430 1.318 0.00 0.00 -0.352 N ATOM 10 H LIG 1 -2.758 -1.720 1.528 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -4.827 -2.138 1.669 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -5.927 -1.395 1.239 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -7.220 -1.899 1.485 0.00 0.00 +0.049 A ATOM 14 C LIG 1 -7.349 -3.121 2.145 0.00 0.00 +0.124 A ATOM 15 F LIG 1 -8.575 -3.607 2.381 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -6.241 -3.846 2.564 0.00 0.00 +0.040 A ATOM 17 C LIG 1 -4.949 -3.365 2.334 0.00 0.00 +0.029 A ATOM 18 C LIG 1 -5.424 -0.210 0.614 0.00 0.00 +0.012 A ATOM 19 C LIG 1 -6.032 0.904 0.020 0.00 0.00 +0.045 A ATOM 20 CA LIG 1 -5.185 1.889 -0.471 0.00 0.00 +0.149 A ATOM 21 N LIG 1 -3.830 1.826 -0.424 0.00 0.00 -0.238 NA BRANCH 20 22 ATOM 22 C LIG 1 -5.802 3.101 -1.089 0.00 0.00 +0.355 C ATOM 23 O LIG 1 -6.998 3.295 -1.228 0.00 0.00 -0.243 OA BRANCH 22 24 ATOM 24 OXT LIG 1 -4.900 4.014 -1.498 0.00 0.00 -0.476 OA ATOM 25 HXT LIG 1 -5.431 4.737 -1.886 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 N LIG 1 2.511 0.659 0.123 0.00 0.00 -0.206 N ATOM 27 C LIG 1 3.170 1.048 1.393 0.00 0.00 +0.157 C BRANCH 26 28 ATOM 28 S LIG 1 3.161 1.411 -1.286 0.00 0.00 +0.074 S ATOM 29 O LIG 1 2.522 0.859 -2.462 0.00 0.00 -0.150 OA ATOM 30 O LIG 1 3.205 2.841 -1.052 0.00 0.00 -0.150 OA BRANCH 28 34 ATOM 31 C LIG 1 7.449 -0.176 -1.323 0.00 0.00 +0.120 A ATOM 32 C LIG 1 6.378 -1.029 -1.602 0.00 0.00 +0.047 A ATOM 33 C LIG 1 5.068 -0.539 -1.590 0.00 0.00 +0.032 A ATOM 34 C LIG 1 4.835 0.807 -1.291 0.00 0.00 +0.109 A ATOM 35 C LIG 1 5.897 1.671 -1.022 0.00 0.00 +0.032 A ATOM 36 C LIG 1 7.200 1.171 -1.035 0.00 0.00 +0.047 A BRANCH 31 38 ATOM 37 C LIG 1 9.086 -1.871 -1.644 0.00 0.00 +0.277 C ATOM 38 O LIG 1 8.770 -0.527 -1.299 0.00 0.00 -0.495 OA ENDBRANCH 31 38 ENDBRANCH 28 34 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 7