REMARK Name = BDB010692 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.319 -0.844 -0.233 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.082 -0.365 0.157 0.00 0.00 -0.307 N ATOM 3 C LIG 1 -0.857 -0.884 -0.711 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.100 -1.656 -1.585 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.609 -2.383 -2.591 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -1.937 -2.310 -2.644 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.763 -1.589 -1.851 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -2.241 -0.827 -0.867 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.230 -1.596 -1.300 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 2.572 -2.004 2.420 0.00 0.00 +0.029 C ATOM 11 C LIG 1 3.159 -1.711 1.039 0.00 0.00 +0.090 C ATOM 12 N LIG 1 2.458 -0.517 0.443 0.00 0.00 -0.295 N ATOM 13 C LIG 1 3.366 0.348 -0.366 0.00 0.00 +0.127 C ATOM 14 C LIG 1 4.471 -0.446 -1.081 0.00 0.00 +0.127 C ATOM 15 N LIG 1 5.300 -1.200 -0.137 0.00 0.00 -0.298 N ATOM 16 C LIG 1 6.551 -1.714 -0.430 0.00 0.00 +0.219 C ATOM 17 O LIG 1 7.229 -2.345 0.373 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 4.686 -1.495 1.158 0.00 0.00 +0.130 C BRANCH 16 19 ATOM 19 C LIG 1 7.070 -1.476 -1.806 0.00 0.00 +0.075 C ATOM 20 C LIG 1 8.559 -1.490 -2.073 0.00 0.00 +0.013 C ATOM 21 C LIG 1 7.808 -0.195 -2.127 0.00 0.00 +0.013 C ENDBRANCH 16 19 ENDBRANCH 1 12 BRANCH 6 22 ATOM 22 C LIG 1 -2.620 -3.105 -3.689 0.00 0.00 +0.220 A ATOM 23 N LIG 1 -3.962 -3.095 -3.740 0.00 0.00 -0.269 N ATOM 24 H LIG 1 -4.586 -2.599 -3.126 0.00 0.00 +0.174 HD ATOM 25 C LIG 1 -4.321 -3.885 -4.759 0.00 0.00 +0.440 A ATOM 26 O LIG 1 -5.465 -4.122 -5.111 0.00 0.00 -0.221 OA ATOM 27 O LIG 1 -3.183 -4.383 -5.343 0.00 0.00 -0.295 OA ATOM 28 N LIG 1 -2.080 -3.843 -4.604 0.00 0.00 -0.051 NA ENDBRANCH 6 22 BRANCH 8 29 ATOM 29 N LIG 1 -3.080 -0.065 -0.071 0.00 0.00 -0.324 N ATOM 30 H LIG 1 -2.647 0.754 0.329 0.00 0.00 +0.148 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.484 0.102 -0.445 0.00 0.00 +0.072 C ATOM 32 C LIG 1 -4.865 1.577 -0.279 0.00 0.00 +0.028 C BRANCH 31 33 ATOM 33 C LIG 1 -5.418 -0.752 0.419 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -5.285 -0.711 1.969 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -5.731 -2.188 1.970 0.00 0.00 +0.001 C ATOM 36 C LIG 1 -5.171 -2.284 0.535 0.00 0.00 +0.005 C ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 8 29 BRANCH 2 37 ATOM 37 C LIG 1 -0.144 0.434 1.348 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 0.258 1.919 1.220 0.00 0.00 +0.009 C ATOM 39 C LIG 1 0.268 2.562 2.622 0.00 0.00 +0.005 C ATOM 40 C LIG 1 0.147 4.079 2.543 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.203 4.502 1.938 0.00 0.00 -0.014 C ATOM 42 C LIG 1 -1.092 5.898 1.324 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -1.736 3.478 0.920 0.00 0.00 +0.003 C ATOM 44 C LIG 1 -0.611 2.716 0.225 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 2 37 TORSDOF 8