REMARK Name = BDB053675 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.096 -2.384 -2.102 0.00 0.00 +0.016 A ATOM 2 C LIG 1 2.668 -1.299 -2.871 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.537 -0.564 -2.497 0.00 0.00 +0.024 A ATOM 4 C LIG 1 0.813 -0.912 -1.357 0.00 0.00 +0.033 A ATOM 5 C LIG 1 1.223 -2.020 -0.606 0.00 0.00 +0.024 A ATOM 6 C LIG 1 2.356 -2.753 -0.976 0.00 0.00 +0.017 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -0.317 -0.215 -0.904 0.00 0.00 -0.284 N ATOM 8 H LIG 1 -0.812 -0.581 -0.093 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -0.897 0.926 -1.427 0.00 0.00 +0.231 C ATOM 10 O LIG 1 -0.497 1.579 -2.387 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 C LIG 1 -2.119 1.384 -0.612 0.00 0.00 +0.181 C BRANCH 11 12 ATOM 12 N LIG 1 -2.734 0.242 0.126 0.00 0.00 -0.289 NA ATOM 13 C LIG 1 -3.568 -0.585 -0.780 0.00 0.00 +0.119 C ATOM 14 C LIG 1 -4.962 0.057 -0.846 0.00 0.00 +0.158 C ATOM 15 C LIG 1 -5.023 1.020 0.349 0.00 0.00 +0.163 C ATOM 16 C LIG 1 -3.722 0.733 1.109 0.00 0.00 +0.119 C BRANCH 14 17 ATOM 17 O LIG 1 -5.118 0.791 -2.064 0.00 0.00 -0.388 OA ATOM 18 H LIG 1 -5.089 0.151 -2.797 0.00 0.00 +0.210 HD ENDBRANCH 14 17 BRANCH 15 19 ATOM 19 O LIG 1 -6.129 0.711 1.200 0.00 0.00 -0.367 OA BRANCH 19 20 ATOM 20 C LIG 1 -7.289 1.552 1.114 0.00 0.00 +0.062 C ATOM 21 C LIG 1 -6.987 2.943 1.687 0.00 0.00 +0.041 C ATOM 22 C LIG 1 -8.338 0.872 2.006 0.00 0.00 +0.041 C ATOM 23 C LIG 1 -7.846 1.652 -0.310 0.00 0.00 +0.041 C ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 4 7 BRANCH 1 24 ATOM 24 S LIG 1 4.554 -3.284 -2.580 0.00 0.00 -0.048 S BRANCH 24 31 ATOM 25 C LIG 1 6.356 -1.477 0.394 0.00 0.00 +0.153 A ATOM 26 C LIG 1 7.251 -2.522 0.813 0.00 0.00 +0.105 A ATOM 27 N LIG 1 7.215 -3.705 0.142 0.00 0.00 -0.234 N ATOM 28 C LIG 1 8.128 -4.565 0.689 0.00 0.00 +0.113 A ATOM 29 C LIG 1 8.761 -3.919 1.728 0.00 0.00 +0.022 A ATOM 30 N LIG 1 6.408 -3.975 -0.886 0.00 0.00 -0.139 NA ATOM 31 C LIG 1 5.631 -2.992 -1.210 0.00 0.00 +0.214 A ATOM 32 C LIG 1 8.204 -2.618 1.810 0.00 0.00 +0.033 A ATOM 33 N LIG 1 5.579 -1.760 -0.608 0.00 0.00 -0.203 NA BRANCH 25 34 ATOM 34 N LIG 1 6.369 -0.267 1.051 0.00 0.00 -0.281 N ATOM 35 H LIG 1 7.067 -0.135 1.768 0.00 0.00 +0.155 HD BRANCH 34 41 ATOM 36 C LIG 1 2.872 2.916 -0.528 0.00 0.00 +0.065 C ATOM 37 C LIG 1 3.990 2.191 0.113 0.00 0.00 +0.035 A ATOM 38 N LIG 1 4.790 2.756 1.062 0.00 0.00 -0.280 N ATOM 39 H LIG 1 4.743 3.695 1.443 0.00 0.00 +0.189 HD ATOM 40 N LIG 1 5.744 1.931 1.523 0.00 0.00 -0.158 NA ATOM 41 C LIG 1 5.569 0.795 0.836 0.00 0.00 +0.146 A ATOM 42 C LIG 1 4.478 0.914 -0.053 0.00 0.00 +0.068 A ENDBRANCH 34 41 ENDBRANCH 25 34 ENDBRANCH 24 31 ENDBRANCH 1 24 TORSDOF 10