REMARK Name = BDB010834 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.866 -0.095 0.009 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.927 0.908 0.259 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -1.263 2.237 0.042 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.268 3.080 0.434 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 0.695 2.299 0.870 0.00 0.00 +0.123 A ATOM 6 N LIG 1 -2.434 2.648 -0.461 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -3.245 1.630 -0.746 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.384 0.969 0.688 0.00 0.00 -0.323 N ATOM 9 N LIG 1 -3.031 0.307 -0.538 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.551 1.966 -1.359 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -5.362 0.972 -1.758 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -5.184 -0.015 -1.697 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.458 1.543 -2.270 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -7.421 0.953 -2.734 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.319 2.905 -2.185 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.042 3.143 -1.578 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 1.998 2.904 1.532 0.00 0.00 +0.055 C ATOM 18 C LIG 1 1.756 3.974 2.591 0.00 0.00 +0.020 C ATOM 19 C LIG 1 2.232 2.618 3.005 0.00 0.00 +0.020 C BRANCH 17 20 ATOM 20 C LIG 1 3.145 3.138 0.572 0.00 0.00 -0.016 A ATOM 21 C LIG 1 3.022 4.020 -0.507 0.00 0.00 +0.115 A ATOM 22 N LIG 1 3.994 4.288 -1.414 0.00 0.00 -0.263 NA ATOM 23 C LIG 1 5.169 3.651 -1.249 0.00 0.00 +0.111 A ATOM 24 C LIG 1 5.413 2.759 -0.222 0.00 0.00 +0.020 A ATOM 25 C LIG 1 4.390 2.503 0.690 0.00 0.00 +0.007 A ENDBRANCH 17 20 ENDBRANCH 5 17 BRANCH 1 26 ATOM 26 N LIG 1 -1.634 -1.428 0.295 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -0.989 -1.551 1.064 0.00 0.00 +0.148 HD BRANCH 26 29 ATOM 28 C LIG 1 -3.244 -2.708 -1.100 0.00 0.00 +0.028 C ATOM 29 C LIG 1 -2.686 -2.452 0.296 0.00 0.00 +0.072 C BRANCH 29 30 ATOM 30 C LIG 1 -3.742 -2.222 1.383 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -5.032 -1.380 1.149 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -5.748 -2.349 2.112 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -4.700 -3.406 1.708 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 8 34 ATOM 34 C LIG 1 1.286 -0.145 0.921 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 1.624 -0.979 -0.334 0.00 0.00 +0.009 C ATOM 36 C LIG 1 2.230 -2.329 0.099 0.00 0.00 +0.005 C ATOM 37 C LIG 1 3.000 -2.982 -1.043 0.00 0.00 +0.003 C ATOM 38 C LIG 1 4.215 -2.134 -1.456 0.00 0.00 -0.014 C ATOM 39 C LIG 1 4.584 -2.414 -2.914 0.00 0.00 +0.007 C ATOM 40 C LIG 1 3.995 -0.631 -1.208 0.00 0.00 +0.003 C ATOM 41 C LIG 1 2.528 -0.231 -1.335 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 8