REMARK Name = BDB060147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.792 -0.739 0.470 0.00 0.00 -0.192 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.396 -0.834 0.847 0.00 0.00 +0.057 A ATOM 3 C LIG 1 0.595 -0.620 -0.103 0.00 0.00 -0.002 A ATOM 4 C LIG 1 0.470 -0.118 -1.502 0.00 0.00 +0.058 C ATOM 5 C LIG 1 1.856 -0.478 -2.048 0.00 0.00 +0.110 C ATOM 6 N LIG 1 2.788 -0.486 -0.907 0.00 0.00 -0.325 N ATOM 7 C LIG 1 1.959 -0.798 0.189 0.00 0.00 +0.035 A ATOM 8 C LIG 1 2.340 -1.193 1.460 0.00 0.00 +0.023 A ATOM 9 C LIG 1 1.358 -1.443 2.421 0.00 0.00 +0.004 A ATOM 10 C LIG 1 0.000 -1.281 2.113 0.00 0.00 +0.025 A BRANCH 6 11 ATOM 11 C LIG 1 4.057 -1.190 -1.095 0.00 0.00 +0.140 C BRANCH 11 12 ATOM 12 C LIG 1 5.197 -0.638 -0.253 0.00 0.00 -0.027 A ATOM 13 C LIG 1 5.579 0.728 -0.257 0.00 0.00 -0.043 A ATOM 14 C LIG 1 4.835 1.730 -1.107 0.00 0.00 +0.044 C ATOM 15 C LIG 1 6.633 1.157 0.588 0.00 0.00 -0.047 A ATOM 16 C LIG 1 7.048 2.602 0.673 0.00 0.00 +0.044 C ATOM 17 C LIG 1 7.333 0.217 1.360 0.00 0.00 +0.003 A ATOM 18 C LIG 1 6.990 -1.129 1.326 0.00 0.00 +0.001 A ATOM 19 C LIG 1 5.931 -1.552 0.528 0.00 0.00 +0.005 A ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 S LIG 1 -2.729 0.277 1.494 0.00 0.00 +0.076 S ATOM 21 O LIG 1 -3.072 -0.517 2.658 0.00 0.00 -0.150 OA ATOM 22 O LIG 1 -2.051 1.545 1.666 0.00 0.00 -0.150 OA BRANCH 20 28 ATOM 23 C LIG 1 -7.723 1.428 -1.887 0.00 0.00 +0.044 C ATOM 24 C LIG 1 -6.513 1.163 -1.041 0.00 0.00 -0.050 A ATOM 25 C LIG 1 -5.266 1.663 -1.411 0.00 0.00 +0.008 A ATOM 26 C LIG 1 -4.112 1.399 -0.650 0.00 0.00 -0.023 A ATOM 27 C LIG 1 -2.829 2.035 -1.116 0.00 0.00 +0.046 C ATOM 28 C LIG 1 -4.220 0.598 0.517 0.00 0.00 +0.115 A ATOM 29 C LIG 1 -5.486 0.095 0.911 0.00 0.00 -0.023 A ATOM 30 C LIG 1 -5.739 -0.717 2.153 0.00 0.00 +0.046 C ATOM 31 C LIG 1 -6.610 0.378 0.108 0.00 0.00 +0.008 A ENDBRANCH 20 28 ENDBRANCH 1 20 BRANCH 1 32 ATOM 32 C LIG 1 -2.420 -2.064 0.183 0.00 0.00 +0.251 C BRANCH 32 33 ATOM 33 C LIG 1 -2.372 -2.377 -1.291 0.00 0.00 +0.324 C ATOM 34 O LIG 1 -1.862 -3.361 -1.806 0.00 0.00 -0.249 OA BRANCH 33 35 ATOM 35 O LIG 1 -3.000 -1.464 -2.059 0.00 0.00 -0.479 OA ATOM 36 H LIG 1 -2.906 -1.805 -2.973 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 8