REMARK Name = BDB063438 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.173 0.393 -0.236 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -1.052 0.891 -0.232 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -2.153 -2.564 -0.182 0.00 0.00 +0.130 A ATOM 4 N LIG 1 -1.752 -1.276 -0.210 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -0.446 -0.972 -0.212 0.00 0.00 +0.221 A ATOM 6 N LIG 1 0.519 -1.897 -0.194 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 0.118 -3.176 -0.166 0.00 0.00 +0.118 A ATOM 8 C LIG 1 -1.201 -3.564 -0.159 0.00 0.00 +0.064 A BRANCH 3 9 ATOM 9 N LIG 1 -3.541 -2.834 -0.186 0.00 0.00 -0.288 N ATOM 10 C LIG 1 -3.996 -4.185 -0.512 0.00 0.00 +0.137 C BRANCH 9 18 ATOM 11 C LIG 1 -8.614 1.589 -0.790 0.00 0.00 +0.066 C ATOM 12 C LIG 1 -7.399 1.128 -0.077 0.00 0.00 +0.044 A ATOM 13 N LIG 1 -6.878 1.776 1.018 0.00 0.00 -0.270 N ATOM 14 C LIG 1 -7.397 2.971 1.645 0.00 0.00 +0.172 C ATOM 15 N LIG 1 -5.774 1.201 1.537 0.00 0.00 -0.171 NA ATOM 16 C LIG 1 -5.534 0.139 0.751 0.00 0.00 +0.095 A ATOM 17 C LIG 1 -4.507 -0.816 0.816 0.00 0.00 +0.053 A ATOM 18 C LIG 1 -4.553 -1.825 -0.184 0.00 0.00 +0.037 A ATOM 19 C LIG 1 -5.592 -1.830 -1.187 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -6.639 -0.885 -1.277 0.00 0.00 +0.013 A ATOM 21 C LIG 1 -6.544 0.070 -0.272 0.00 0.00 +0.023 A ENDBRANCH 9 18 ENDBRANCH 3 9 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 C LIG 1 0.996 1.161 -0.226 0.00 0.00 +0.034 A ATOM 23 C LIG 1 2.285 0.614 -0.180 0.00 0.00 +0.034 A ATOM 24 C LIG 1 3.437 1.421 -0.185 0.00 0.00 +0.019 A ATOM 25 C LIG 1 3.277 2.812 -0.232 0.00 0.00 +0.011 A ATOM 26 C LIG 1 2.007 3.379 -0.280 0.00 0.00 +0.002 A ATOM 27 C LIG 1 0.879 2.558 -0.278 0.00 0.00 +0.023 A BRANCH 24 28 ATOM 28 C LIG 1 4.792 0.860 -0.140 0.00 0.00 +0.139 A ATOM 29 N LIG 1 5.085 -0.482 -0.234 0.00 0.00 -0.338 N ATOM 30 H LIG 1 4.409 -1.221 -0.348 0.00 0.00 +0.167 HD ATOM 31 C LIG 1 6.444 -0.650 -0.153 0.00 0.00 +0.067 A ATOM 32 C LIG 1 6.947 0.642 -0.035 0.00 0.00 +0.102 A ATOM 33 C LIG 1 8.340 0.811 0.070 0.00 0.00 +0.064 A ATOM 34 C LIG 1 9.172 -0.324 0.054 0.00 0.00 +0.015 A ATOM 35 C LIG 1 8.627 -1.605 -0.068 0.00 0.00 +0.003 A ATOM 36 C LIG 1 7.246 -1.795 -0.176 0.00 0.00 +0.028 A ATOM 37 N LIG 1 5.912 1.549 -0.012 0.00 0.00 -0.227 NA BRANCH 33 38 ATOM 38 C LIG 1 8.927 2.159 0.180 0.00 0.00 +0.244 C ATOM 39 O LIG 1 8.611 3.089 -0.547 0.00 0.00 -0.270 OA ATOM 40 N LIG 1 9.882 2.314 1.151 0.00 0.00 -0.325 N ATOM 41 H LIG 1 9.947 1.662 1.920 0.00 0.00 +0.145 HD ATOM 42 H LIG 1 10.167 3.270 1.324 0.00 0.00 +0.145 HD ENDBRANCH 33 38 ENDBRANCH 24 28 ENDBRANCH 1 22 TORSDOF 6