REMARK Name = BDB013578 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.143 -0.406 0.276 0.00 0.00 -0.043 A ATOM 2 C LIG 1 -0.145 -0.212 -0.242 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -1.275 -0.846 0.312 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -1.099 -1.744 1.381 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -2.251 -2.475 2.013 0.00 0.00 +0.044 C ATOM 6 C LIG 1 0.192 -1.946 1.892 0.00 0.00 +0.004 A ATOM 7 C LIG 1 1.296 -1.278 1.356 0.00 0.00 +0.004 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 2.304 0.394 -0.308 0.00 0.00 +0.030 C BRANCH 8 9 ATOM 9 C LIG 1 3.580 -0.464 -0.463 0.00 0.00 +0.015 C BRANCH 9 10 ATOM 10 C LIG 1 4.606 0.158 -1.417 0.00 0.00 +0.059 C BRANCH 10 14 ATOM 11 N LIG 1 7.749 -1.641 -1.458 0.00 0.00 -0.252 N ATOM 12 N LIG 1 7.012 -2.353 -2.325 0.00 0.00 -0.065 NA ATOM 13 N LIG 1 5.819 -1.779 -2.398 0.00 0.00 -0.135 NA ATOM 14 C LIG 1 5.814 -0.695 -1.560 0.00 0.00 +0.083 A ATOM 15 C LIG 1 7.044 -0.593 -0.948 0.00 0.00 +0.133 A BRANCH 11 17 ATOM 16 C LIG 1 10.100 -1.479 -2.165 0.00 0.00 +0.029 C ATOM 17 C LIG 1 9.107 -2.032 -1.158 0.00 0.00 +0.142 C ENDBRANCH 11 17 ENDBRANCH 10 14 ENDBRANCH 9 10 ENDBRANCH 8 9 BRANCH 8 18 ATOM 18 C LIG 1 2.558 1.647 0.552 0.00 0.00 +0.128 C BRANCH 18 19 ATOM 19 C LIG 1 1.398 2.609 0.537 0.00 0.00 +0.305 C ATOM 20 O LIG 1 0.792 3.023 1.512 0.00 0.00 -0.251 OA BRANCH 19 21 ATOM 21 O LIG 1 1.094 3.045 -0.700 0.00 0.00 -0.481 OA ATOM 22 H LIG 1 0.319 3.633 -0.568 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 8 18 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 -2.631 -0.502 -0.275 0.00 0.00 +0.144 C BRANCH 23 24 ATOM 24 N LIG 1 -2.909 0.957 -0.264 0.00 0.00 -0.172 NA ATOM 25 S LIG 1 -3.892 1.552 -1.500 0.00 0.00 +0.061 S ATOM 26 O LIG 1 -3.408 0.990 -2.744 0.00 0.00 -0.153 OA ATOM 27 O LIG 1 -4.034 2.984 -1.345 0.00 0.00 -0.153 OA ATOM 28 C LIG 1 -5.470 0.805 -1.145 0.00 0.00 +0.109 A ATOM 29 C LIG 1 -6.109 1.004 0.091 0.00 0.00 -0.021 A ATOM 30 C LIG 1 -7.340 0.359 0.309 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -7.915 -0.451 -0.673 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.273 -0.633 -1.893 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -5.539 1.868 1.192 0.00 0.00 +0.041 C ATOM 34 C LIG 1 -4.280 1.268 1.843 0.00 0.00 +0.006 C ATOM 35 C LIG 1 -4.141 1.813 3.272 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -6.050 -0.008 -2.131 0.00 0.00 +0.029 A ATOM 37 C LIG 1 -2.998 1.598 1.067 0.00 0.00 +0.113 C ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 10