REMARK Name = BDB053676 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.461 -3.552 0.149 0.00 0.00 +0.016 A ATOM 2 C LIG 1 1.029 -3.244 1.439 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -0.179 -2.564 1.640 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -0.967 -2.188 0.552 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -0.556 -2.543 -0.737 0.00 0.00 +0.024 A ATOM 6 C LIG 1 0.649 -3.223 -0.939 0.00 0.00 +0.017 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -2.148 -1.438 0.662 0.00 0.00 -0.284 N ATOM 8 H LIG 1 -2.613 -1.161 -0.201 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -2.684 -0.842 1.788 0.00 0.00 +0.231 C ATOM 10 O LIG 1 -2.290 -0.958 2.943 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 C LIG 1 -3.920 0.011 1.458 0.00 0.00 +0.181 C BRANCH 11 12 ATOM 12 N LIG 1 -3.858 0.538 0.063 0.00 0.00 -0.287 NA ATOM 13 C LIG 1 -3.087 1.811 -0.058 0.00 0.00 +0.084 C ATOM 14 C LIG 1 -4.071 2.958 0.238 0.00 0.00 +0.041 C ATOM 15 C LIG 1 -5.458 2.317 0.216 0.00 0.00 +0.066 C ATOM 16 C LIG 1 -5.209 0.932 -0.394 0.00 0.00 +0.103 C BRANCH 15 17 ATOM 17 N LIG 1 -6.447 3.131 -0.481 0.00 0.00 -0.326 NA ATOM 18 H LIG 1 -6.168 3.275 -1.450 0.00 0.00 +0.119 HD ATOM 19 H LIG 1 -7.341 2.640 -0.512 0.00 0.00 +0.119 HD ENDBRANCH 15 17 BRANCH 13 20 ATOM 20 C LIG 1 -1.758 1.959 0.706 0.00 0.00 +0.174 C BRANCH 20 21 ATOM 21 O LIG 1 -1.095 3.181 0.373 0.00 0.00 -0.393 OA ATOM 22 H LIG 1 -0.868 3.135 -0.576 0.00 0.00 +0.209 HD ENDBRANCH 20 21 ENDBRANCH 13 20 ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 S LIG 1 3.049 -4.325 -0.099 0.00 0.00 -0.048 S BRANCH 23 30 ATOM 24 C LIG 1 4.155 -0.739 -1.211 0.00 0.00 +0.153 A ATOM 25 C LIG 1 5.142 -1.070 -2.201 0.00 0.00 +0.105 A ATOM 26 N LIG 1 5.416 -2.386 -2.417 0.00 0.00 -0.234 N ATOM 27 C LIG 1 6.385 -2.491 -3.376 0.00 0.00 +0.113 A ATOM 28 C LIG 1 6.739 -1.222 -3.776 0.00 0.00 +0.022 A ATOM 29 N LIG 1 4.813 -3.405 -1.798 0.00 0.00 -0.139 NA ATOM 30 C LIG 1 3.928 -3.033 -0.930 0.00 0.00 +0.214 A ATOM 31 C LIG 1 5.948 -0.315 -3.029 0.00 0.00 +0.033 A ATOM 32 N LIG 1 3.603 -1.743 -0.600 0.00 0.00 -0.203 NA BRANCH 24 33 ATOM 33 N LIG 1 3.830 0.577 -0.970 0.00 0.00 -0.281 N ATOM 34 H LIG 1 4.114 1.254 -1.662 0.00 0.00 +0.155 HD BRANCH 33 40 ATOM 35 C LIG 1 0.986 1.139 3.077 0.00 0.00 +0.065 C ATOM 36 C LIG 1 1.730 1.246 1.804 0.00 0.00 +0.035 A ATOM 37 N LIG 1 1.681 2.351 1.004 0.00 0.00 -0.280 N ATOM 38 H LIG 1 1.132 3.196 1.140 0.00 0.00 +0.189 HD ATOM 39 N LIG 1 2.449 2.253 -0.097 0.00 0.00 -0.158 NA ATOM 40 C LIG 1 2.975 1.025 -0.030 0.00 0.00 +0.146 A ATOM 41 C LIG 1 2.561 0.365 1.150 0.00 0.00 +0.068 A ENDBRANCH 33 40 ENDBRANCH 24 33 ENDBRANCH 23 30 ENDBRANCH 1 23 TORSDOF 10