REMARK Name = BDB053631 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.694 1.197 -0.098 0.00 0.00 +0.140 A ATOM 2 N LIG 1 2.890 1.832 -0.960 0.00 0.00 -0.237 NA ATOM 3 C LIG 1 1.557 1.588 -0.845 0.00 0.00 +0.136 A ATOM 4 C LIG 1 0.976 0.725 0.084 0.00 0.00 +0.052 A ATOM 5 C LIG 1 1.867 0.073 0.946 0.00 0.00 +0.028 A ATOM 6 C LIG 1 3.239 0.306 0.858 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -0.390 0.470 0.203 0.00 0.00 -0.282 N ATOM 8 H LIG 1 -0.684 -0.178 0.919 0.00 0.00 +0.155 HD BRANCH 7 9 ATOM 9 C LIG 1 -1.514 0.935 -0.478 0.00 0.00 +0.221 A ATOM 10 N LIG 1 -2.679 0.428 -0.037 0.00 0.00 -0.195 NA ATOM 11 C LIG 1 -3.748 0.889 -0.708 0.00 0.00 +0.164 A ATOM 12 C LIG 1 -3.733 1.790 -1.754 0.00 0.00 +0.057 A ATOM 13 C LIG 1 -5.082 1.951 -2.113 0.00 0.00 +0.146 A ATOM 14 N LIG 1 -5.905 1.212 -1.362 0.00 0.00 -0.177 NA ATOM 15 C LIG 1 -2.491 2.261 -2.140 0.00 0.00 +0.127 A ATOM 16 N LIG 1 -5.068 0.572 -0.507 0.00 0.00 -0.243 N ATOM 17 N LIG 1 -1.388 1.819 -1.489 0.00 0.00 -0.222 NA BRANCH 16 18 ATOM 18 C LIG 1 -5.597 -0.348 0.499 0.00 0.00 +0.109 C ATOM 19 C LIG 1 -6.293 -1.559 -0.151 0.00 0.00 +0.027 C ATOM 20 C LIG 1 -7.232 -2.316 0.785 0.00 0.00 +0.002 C ATOM 21 C LIG 1 -8.558 -1.614 1.113 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -8.719 -0.184 0.602 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -7.801 0.845 1.257 0.00 0.00 +0.002 C ATOM 24 C LIG 1 -6.385 0.385 1.597 0.00 0.00 +0.027 C ENDBRANCH 16 18 ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 25 ATOM 25 N LIG 1 5.093 1.427 -0.215 0.00 0.00 -0.189 N BRANCH 25 27 ATOM 26 C LIG 1 4.904 3.216 1.839 0.00 0.00 +0.218 C ATOM 27 S LIG 1 5.605 2.984 0.215 0.00 0.00 +0.044 S ATOM 28 O LIG 1 7.046 2.924 0.382 0.00 0.00 -0.155 OA ATOM 29 O LIG 1 5.032 3.967 -0.680 0.00 0.00 -0.155 OA ENDBRANCH 25 27 BRANCH 25 30 ATOM 30 C LIG 1 5.681 0.959 -1.508 0.00 0.00 +0.148 C BRANCH 30 31 ATOM 31 C LIG 1 5.569 -0.573 -1.686 0.00 0.00 +0.105 C BRANCH 31 32 ATOM 32 N LIG 1 6.035 -1.371 -0.539 0.00 0.00 -0.301 NA ATOM 33 C LIG 1 5.901 -2.808 -0.779 0.00 0.00 +0.084 C ATOM 34 C LIG 1 6.741 -3.417 0.333 0.00 0.00 +0.017 C ATOM 35 C LIG 1 7.777 -2.352 0.676 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.450 -1.168 -0.224 0.00 0.00 +0.084 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 1 25 TORSDOF 8