REMARK Name = BDB032834 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.562 0.950 1.319 0.00 0.00 -0.010 A ATOM 2 C LIG 1 -2.920 1.183 1.061 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -3.726 0.085 0.824 0.00 0.00 +0.042 A ATOM 4 C LIG 1 -5.164 0.039 0.532 0.00 0.00 +0.248 C ATOM 5 N LIG 1 -5.483 -1.285 0.290 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -4.358 -2.174 0.552 0.00 0.00 +0.144 C ATOM 7 O LIG 1 -5.903 1.002 0.549 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.247 -1.222 0.837 0.00 0.00 -0.018 A ATOM 9 C LIG 1 -1.914 -1.473 1.103 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -1.073 -0.379 1.346 0.00 0.00 +0.007 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -6.827 -1.814 0.093 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -7.634 -1.707 1.387 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -7.303 -2.297 2.416 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -8.733 -0.887 1.375 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -9.247 -0.826 2.242 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -9.171 -0.061 0.373 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -10.176 0.630 0.532 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -8.367 -0.023 -0.901 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -7.572 -1.295 -1.135 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 C LIG 1 -0.630 2.110 1.579 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 0.542 2.004 0.760 0.00 0.00 -0.445 OA BRANCH 21 24 ATOM 22 N LIG 1 1.534 2.370 -1.285 0.00 0.00 -0.250 N ATOM 23 H LIG 1 1.370 2.769 -2.200 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 0.447 2.553 -0.472 0.00 0.00 +0.405 C ATOM 25 O LIG 1 -0.531 3.167 -0.888 0.00 0.00 -0.226 OA BRANCH 22 29 ATOM 26 C LIG 1 5.322 0.572 -0.927 0.00 0.00 +0.122 A ATOM 27 N LIG 1 4.901 1.119 -2.088 0.00 0.00 -0.238 NA ATOM 28 C LIG 1 3.670 1.685 -2.135 0.00 0.00 +0.136 A ATOM 29 C LIG 1 2.777 1.748 -1.071 0.00 0.00 +0.055 A ATOM 30 C LIG 1 3.211 1.181 0.115 0.00 0.00 +0.028 A ATOM 31 C LIG 1 4.479 0.588 0.182 0.00 0.00 +0.045 A BRANCH 26 34 ATOM 32 C LIG 1 7.167 -1.637 0.847 0.00 0.00 +0.028 C ATOM 33 C LIG 1 7.350 -0.214 0.325 0.00 0.00 +0.072 C ATOM 34 N LIG 1 6.566 -0.024 -0.900 0.00 0.00 -0.312 N ATOM 35 C LIG 1 7.435 0.185 -2.060 0.00 0.00 +0.107 C ATOM 36 C LIG 1 8.789 -0.338 -1.598 0.00 0.00 +0.021 C ATOM 37 C LIG 1 8.799 0.035 -0.124 0.00 0.00 +0.024 C ENDBRANCH 26 34 ENDBRANCH 22 29 ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 6