REMARK Name = BDB013395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.009 -2.324 -2.839 0.00 0.00 +0.044 C ATOM 2 C LIG 1 1.027 -2.091 -1.724 0.00 0.00 -0.046 A ATOM 3 C LIG 1 1.356 -1.347 -0.575 0.00 0.00 -0.028 A ATOM 4 C LIG 1 0.388 -1.177 0.439 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -0.908 -1.698 0.321 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -1.216 -2.429 -0.836 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -0.265 -2.624 -1.840 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 2.723 -0.718 -0.365 0.00 0.00 +0.145 C BRANCH 8 9 ATOM 9 N LIG 1 2.633 0.731 -0.051 0.00 0.00 -0.169 NA ATOM 10 S LIG 1 3.780 1.348 1.019 0.00 0.00 +0.066 S ATOM 11 O LIG 1 3.866 0.423 2.131 0.00 0.00 -0.153 OA ATOM 12 O LIG 1 3.475 2.745 1.245 0.00 0.00 -0.153 OA ATOM 13 C LIG 1 5.327 1.297 0.187 0.00 0.00 +0.167 A ATOM 14 C LIG 1 5.465 1.325 -1.190 0.00 0.00 +0.242 A ATOM 15 N LIG 1 6.676 1.216 -1.789 0.00 0.00 -0.220 NA ATOM 16 C LIG 1 7.772 1.110 -1.007 0.00 0.00 +0.115 A ATOM 17 C LIG 1 7.724 1.088 0.373 0.00 0.00 +0.022 A ATOM 18 O LIG 1 4.466 1.385 -2.113 0.00 0.00 -0.474 OA ATOM 19 C LIG 1 3.435 2.324 -1.823 0.00 0.00 +0.248 C ATOM 20 C LIG 1 6.478 1.177 0.979 0.00 0.00 +0.035 A ATOM 21 C LIG 1 2.247 1.596 -1.200 0.00 0.00 +0.151 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 22 ATOM 22 C LIG 1 -1.988 -1.507 1.388 0.00 0.00 +0.060 C BRANCH 22 23 ATOM 23 C LIG 1 -3.217 -0.726 0.881 0.00 0.00 -0.034 A ATOM 24 C LIG 1 -3.158 0.575 0.300 0.00 0.00 -0.017 A ATOM 25 C LIG 1 -1.876 1.322 0.064 0.00 0.00 +0.046 C ATOM 26 C LIG 1 -4.382 1.155 -0.114 0.00 0.00 +0.116 A ATOM 27 N LIG 1 -4.623 2.365 -0.718 0.00 0.00 -0.129 NA ATOM 28 N LIG 1 -5.928 2.480 -0.920 0.00 0.00 -0.065 NA ATOM 29 N LIG 1 -6.506 1.364 -0.445 0.00 0.00 -0.247 N ATOM 30 C LIG 1 -7.935 1.221 -0.531 0.00 0.00 +0.175 C ATOM 31 C LIG 1 -5.587 0.486 0.063 0.00 0.00 +0.089 A ATOM 32 C LIG 1 -5.676 -0.779 0.636 0.00 0.00 +0.030 A ATOM 33 C LIG 1 -4.471 -1.365 1.034 0.00 0.00 +0.007 A ENDBRANCH 22 23 BRANCH 22 34 ATOM 34 C LIG 1 -1.497 -0.980 2.749 0.00 0.00 +0.133 C BRANCH 34 35 ATOM 35 C LIG 1 -2.535 -1.103 3.828 0.00 0.00 +0.306 C ATOM 36 O LIG 1 -2.968 -0.197 4.521 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -2.940 -2.369 4.041 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -3.562 -2.286 4.795 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 22 34 ENDBRANCH 5 22 TORSDOF 7