REMARK Name = BDB010756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.797 -0.044 -0.472 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.727 0.741 -0.907 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.900 2.105 -1.064 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -0.224 2.707 -1.528 0.00 0.00 -0.200 NA ATOM 5 C LIG 1 -1.131 1.753 -1.618 0.00 0.00 +0.194 A ATOM 6 N LIG 1 2.039 2.765 -0.808 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.999 1.948 -0.357 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.606 0.534 -1.228 0.00 0.00 -0.313 N ATOM 9 N LIG 1 2.933 0.617 -0.181 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 4.287 2.603 -0.035 0.00 0.00 +0.220 A ATOM 11 N LIG 1 4.404 3.932 -0.188 0.00 0.00 -0.269 N ATOM 12 H LIG 1 3.697 4.574 -0.510 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 5.654 4.256 0.164 0.00 0.00 +0.440 A ATOM 14 O LIG 1 6.134 5.378 0.153 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 6.310 3.111 0.541 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 5.370 2.039 0.393 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 1.725 -1.420 -0.331 0.00 0.00 -0.324 N ATOM 18 H LIG 1 1.225 -1.853 -1.098 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 3.325 -1.914 1.509 0.00 0.00 +0.028 C ATOM 20 C LIG 1 2.884 -2.227 0.080 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 4.058 -2.160 -0.896 0.00 0.00 +0.009 C ATOM 22 C LIG 1 3.782 -2.643 -2.348 0.00 0.00 +0.005 C ATOM 23 C LIG 1 5.209 -3.227 -2.349 0.00 0.00 +0.001 C ATOM 24 C LIG 1 5.094 -3.318 -0.814 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 S LIG 1 -2.799 2.158 -2.247 0.00 0.00 +0.056 S ATOM 26 O LIG 1 -3.748 0.802 -2.172 0.00 0.00 -0.149 OA BRANCH 25 27 ATOM 27 C LIG 1 -3.380 3.282 -0.950 0.00 0.00 +0.034 A ATOM 28 C LIG 1 -4.514 2.963 -0.193 0.00 0.00 +0.016 A ATOM 29 C LIG 1 -4.973 3.836 0.796 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.307 5.037 1.029 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.186 5.370 0.271 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -2.726 4.498 -0.719 0.00 0.00 +0.016 A ENDBRANCH 25 27 ENDBRANCH 5 25 BRANCH 8 33 ATOM 33 C LIG 1 -1.289 -0.745 -1.148 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 -1.597 -1.223 0.287 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -1.985 -2.716 0.251 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -2.789 -3.115 1.481 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -4.135 -2.371 1.536 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -4.645 -2.311 2.977 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -4.058 -0.969 0.905 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -2.660 -0.368 1.006 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 8