REMARK Name = BDB060150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.631 -0.769 -0.270 0.00 0.00 -0.325 N ATOM 2 C LIG 1 1.469 -1.538 -0.503 0.00 0.00 +0.035 A ATOM 3 C LIG 1 1.398 -2.902 -0.745 0.00 0.00 +0.023 A ATOM 4 C LIG 1 0.149 -3.492 -0.955 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.017 -2.720 -0.897 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.959 -1.355 -0.597 0.00 0.00 +0.057 A ATOM 7 C LIG 1 0.292 -0.774 -0.432 0.00 0.00 -0.002 A ATOM 8 C LIG 1 0.662 0.640 -0.136 0.00 0.00 +0.058 C ATOM 9 C LIG 1 2.163 0.619 -0.453 0.00 0.00 +0.110 C ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 3.866 -1.178 -0.937 0.00 0.00 +0.140 C BRANCH 10 14 ATOM 11 C LIG 1 7.243 1.209 0.355 0.00 0.00 +0.162 A ATOM 12 C LIG 1 6.455 0.529 1.304 0.00 0.00 +0.162 A ATOM 13 C LIG 1 5.368 -0.240 0.874 0.00 0.00 +0.054 A ATOM 14 C LIG 1 5.040 -0.332 -0.489 0.00 0.00 -0.027 A ATOM 15 C LIG 1 5.828 0.350 -1.422 0.00 0.00 +0.009 A ATOM 16 C LIG 1 6.921 1.114 -1.003 0.00 0.00 +0.050 A BRANCH 11 18 ATOM 17 C LIG 1 9.118 2.628 -0.074 0.00 0.00 +0.277 C ATOM 18 O LIG 1 8.295 1.938 0.854 0.00 0.00 -0.491 OA ENDBRANCH 11 18 BRANCH 12 19 ATOM 19 O LIG 1 6.832 0.671 2.617 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 5.984 0.102 3.606 0.00 0.00 +0.277 C ENDBRANCH 12 19 ENDBRANCH 10 14 ENDBRANCH 1 10 BRANCH 6 21 ATOM 21 N LIG 1 -2.198 -0.628 -0.625 0.00 0.00 -0.192 N BRANCH 21 22 ATOM 22 S LIG 1 -2.642 0.196 0.801 0.00 0.00 +0.076 S ATOM 23 O LIG 1 -2.330 -0.619 1.956 0.00 0.00 -0.150 OA ATOM 24 O LIG 1 -2.099 1.536 0.705 0.00 0.00 -0.150 OA BRANCH 22 25 ATOM 25 C LIG 1 -4.448 0.272 0.669 0.00 0.00 +0.115 A ATOM 26 C LIG 1 -5.122 1.494 0.420 0.00 0.00 -0.023 A ATOM 27 C LIG 1 -4.448 2.833 0.275 0.00 0.00 +0.046 C ATOM 28 C LIG 1 -6.527 1.486 0.311 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -7.268 0.311 0.445 0.00 0.00 -0.050 A ATOM 30 C LIG 1 -8.766 0.341 0.367 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -6.597 -0.878 0.725 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -5.194 -0.924 0.833 0.00 0.00 -0.023 A ATOM 33 C LIG 1 -4.583 -2.263 1.159 0.00 0.00 +0.046 C ENDBRANCH 22 25 ENDBRANCH 21 22 BRANCH 21 34 ATOM 34 C LIG 1 -2.510 0.047 -1.909 0.00 0.00 +0.251 C BRANCH 34 35 ATOM 35 C LIG 1 -3.833 -0.443 -2.450 0.00 0.00 +0.324 C ATOM 36 O LIG 1 -4.285 -1.576 -2.385 0.00 0.00 -0.249 OA BRANCH 35 37 ATOM 37 O LIG 1 -4.526 0.524 -3.088 0.00 0.00 -0.479 OA ATOM 38 H LIG 1 -5.364 0.080 -3.344 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 21 34 ENDBRANCH 6 21 TORSDOF 10