REMARK Name = BDB053670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.311 2.178 -0.184 0.00 0.00 +0.016 A ATOM 2 C LIG 1 2.298 0.943 -0.837 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.129 0.172 -0.878 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -0.040 0.630 -0.271 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -0.026 1.869 0.380 0.00 0.00 +0.024 A ATOM 6 C LIG 1 1.141 2.640 0.421 0.00 0.00 +0.017 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -1.250 -0.081 -0.268 0.00 0.00 -0.284 N ATOM 8 H LIG 1 -2.055 0.348 0.187 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -1.550 -1.282 -0.888 0.00 0.00 +0.231 C ATOM 10 O LIG 1 -0.789 -1.977 -1.554 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 C LIG 1 -2.993 -1.729 -0.607 0.00 0.00 +0.181 C BRANCH 11 12 ATOM 12 N LIG 1 -3.879 -0.565 -0.393 0.00 0.00 -0.289 NA ATOM 13 C LIG 1 -4.223 0.119 -1.653 0.00 0.00 +0.119 C ATOM 14 C LIG 1 -5.403 1.005 -1.247 0.00 0.00 +0.158 C ATOM 15 C LIG 1 -6.177 0.145 -0.236 0.00 0.00 +0.162 C ATOM 16 C LIG 1 -5.183 -0.964 0.162 0.00 0.00 +0.119 C BRANCH 14 17 ATOM 17 O LIG 1 -4.942 2.207 -0.617 0.00 0.00 -0.388 OA ATOM 18 H LIG 1 -4.388 2.674 -1.266 0.00 0.00 +0.210 HD ENDBRANCH 14 17 BRANCH 15 19 ATOM 19 O LIG 1 -7.304 -0.433 -0.908 0.00 0.00 -0.370 OA BRANCH 19 20 ATOM 20 C LIG 1 -8.485 -0.524 -0.107 0.00 0.00 +0.113 C ATOM 21 C LIG 1 -9.624 -0.896 -1.050 0.00 0.00 +0.037 C ATOM 22 C LIG 1 -8.346 -1.572 0.992 0.00 0.00 +0.037 C ENDBRANCH 19 20 ENDBRANCH 15 19 ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 S LIG 1 3.791 3.166 -0.131 0.00 0.00 -0.048 S BRANCH 23 30 ATOM 24 C LIG 1 6.176 0.546 1.475 0.00 0.00 +0.153 A ATOM 25 C LIG 1 6.026 0.871 2.869 0.00 0.00 +0.105 A ATOM 26 N LIG 1 5.193 1.895 3.203 0.00 0.00 -0.234 N ATOM 27 C LIG 1 5.191 2.052 4.563 0.00 0.00 +0.113 A ATOM 28 C LIG 1 6.030 1.105 5.108 0.00 0.00 +0.022 A ATOM 29 N LIG 1 4.494 2.627 2.332 0.00 0.00 -0.139 NA ATOM 30 C LIG 1 4.676 2.272 1.101 0.00 0.00 +0.214 A ATOM 31 C LIG 1 6.563 0.353 4.032 0.00 0.00 +0.033 A ATOM 32 N LIG 1 5.493 1.270 0.643 0.00 0.00 -0.203 NA BRANCH 24 33 ATOM 33 N LIG 1 7.012 -0.479 1.099 0.00 0.00 -0.281 N ATOM 34 H LIG 1 7.495 -0.979 1.831 0.00 0.00 +0.155 HD BRANCH 33 40 ATOM 35 C LIG 1 7.020 -1.355 -3.811 0.00 0.00 +0.065 C ATOM 36 C LIG 1 7.202 -1.315 -2.345 0.00 0.00 +0.035 A ATOM 37 N LIG 1 8.008 -2.191 -1.677 0.00 0.00 -0.280 N ATOM 38 H LIG 1 8.563 -2.948 -2.061 0.00 0.00 +0.189 HD ATOM 39 N LIG 1 8.036 -1.992 -0.351 0.00 0.00 -0.158 NA ATOM 40 C LIG 1 7.223 -0.949 -0.146 0.00 0.00 +0.146 A ATOM 41 C LIG 1 6.683 -0.490 -1.371 0.00 0.00 +0.068 A ENDBRANCH 33 40 ENDBRANCH 24 33 ENDBRANCH 23 30 ENDBRANCH 1 23 TORSDOF 10