REMARK Name = BDB060135 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.974 0.950 0.461 0.00 0.00 -0.325 N ATOM 2 C LIG 1 2.052 -0.105 0.277 0.00 0.00 +0.035 A ATOM 3 C LIG 1 2.344 -1.460 0.220 0.00 0.00 +0.023 A ATOM 4 C LIG 1 1.315 -2.364 -0.034 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.010 -1.904 -0.241 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.307 -0.538 -0.176 0.00 0.00 +0.057 A ATOM 7 C LIG 1 0.732 0.352 0.079 0.00 0.00 -0.002 A ATOM 8 C LIG 1 0.749 1.844 0.154 0.00 0.00 +0.058 C ATOM 9 C LIG 1 2.116 2.092 0.804 0.00 0.00 +0.110 C ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 4.153 0.719 1.307 0.00 0.00 +0.144 C BRANCH 10 12 ATOM 11 C LIG 1 6.365 -0.523 1.236 0.00 0.00 +0.125 A ATOM 12 C LIG 1 5.339 0.153 0.545 0.00 0.00 +0.011 A ATOM 13 C LIG 1 5.472 0.351 -0.842 0.00 0.00 +0.009 A ATOM 14 C LIG 1 6.576 -0.141 -1.535 0.00 0.00 +0.001 A ATOM 15 C LIG 1 7.572 -0.827 -0.850 0.00 0.00 +0.004 A ATOM 16 C LIG 1 7.470 -1.015 0.531 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 7.197 -1.340 3.320 0.00 0.00 +0.277 C ATOM 18 O LIG 1 6.194 -0.643 2.592 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 10 12 ENDBRANCH 1 10 BRANCH 6 19 ATOM 19 N LIG 1 -1.660 -0.183 -0.528 0.00 0.00 -0.192 N BRANCH 19 20 ATOM 20 S LIG 1 -2.493 0.944 0.437 0.00 0.00 +0.076 S ATOM 21 O LIG 1 -2.132 0.765 1.828 0.00 0.00 -0.150 OA ATOM 22 O LIG 1 -2.326 2.238 -0.191 0.00 0.00 -0.150 OA BRANCH 20 23 ATOM 23 C LIG 1 -4.219 0.421 0.287 0.00 0.00 +0.115 A ATOM 24 C LIG 1 -5.223 1.331 -0.127 0.00 0.00 -0.023 A ATOM 25 C LIG 1 -4.992 2.795 -0.392 0.00 0.00 +0.046 C ATOM 26 C LIG 1 -6.538 0.859 -0.304 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -6.883 -0.467 -0.042 0.00 0.00 -0.050 A ATOM 28 C LIG 1 -8.285 -0.949 -0.273 0.00 0.00 +0.044 C ATOM 29 C LIG 1 -5.894 -1.346 0.397 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -4.565 -0.922 0.592 0.00 0.00 -0.023 A ATOM 31 C LIG 1 -3.595 -1.966 1.078 0.00 0.00 +0.046 C ENDBRANCH 20 23 ENDBRANCH 19 20 BRANCH 19 32 ATOM 32 C LIG 1 -2.002 -0.239 -1.972 0.00 0.00 +0.251 C BRANCH 32 33 ATOM 33 C LIG 1 -2.051 1.060 -2.728 0.00 0.00 +0.324 C ATOM 34 O LIG 1 -3.046 1.549 -3.240 0.00 0.00 -0.249 OA BRANCH 33 35 ATOM 35 O LIG 1 -0.855 1.668 -2.841 0.00 0.00 -0.479 OA ATOM 36 H LIG 1 -1.060 2.530 -3.257 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 19 32 ENDBRANCH 6 19 TORSDOF 9