REMARK Name = BDB032723 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.766 0.238 -0.419 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.676 0.597 0.361 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.576 0.589 1.572 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.604 0.988 -0.562 0.00 0.00 +0.042 A ATOM 5 C LIG 1 4.050 0.766 -1.862 0.00 0.00 -0.018 A ATOM 6 C LIG 1 3.224 1.039 -2.937 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.943 1.543 -2.675 0.00 0.00 +0.007 A ATOM 8 C LIG 1 1.497 1.774 -1.352 0.00 0.00 -0.010 A ATOM 9 C LIG 1 2.345 1.480 -0.274 0.00 0.00 +0.020 A ATOM 10 C LIG 1 5.431 0.206 -1.836 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 9.299 -2.578 2.735 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.569 -1.906 2.011 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.492 -2.471 1.374 0.00 0.00 -0.255 N ATOM 14 H LIG 1 7.329 -3.450 1.565 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.677 -1.900 0.424 0.00 0.00 +0.240 C ATOM 16 O LIG 1 5.855 -2.586 -0.181 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 6.960 -0.426 0.093 0.00 0.00 +0.163 C ATOM 18 C LIG 1 7.591 0.282 1.292 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.856 -0.456 1.703 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 0.102 2.287 -1.097 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 -0.735 1.156 -0.846 0.00 0.00 -0.445 OA BRANCH 21 22 ATOM 22 C LIG 1 -2.037 1.474 -0.630 0.00 0.00 +0.405 C ATOM 23 N LIG 1 -2.718 0.316 -0.392 0.00 0.00 -0.250 N ATOM 24 H LIG 1 -2.132 -0.508 -0.417 0.00 0.00 +0.158 HD ATOM 25 O LIG 1 -2.474 2.614 -0.656 0.00 0.00 -0.226 OA BRANCH 23 26 ATOM 26 C LIG 1 -4.088 0.154 -0.122 0.00 0.00 +0.055 A ATOM 27 C LIG 1 -4.582 -1.128 0.096 0.00 0.00 +0.134 A ATOM 28 N LIG 1 -5.877 -1.422 0.364 0.00 0.00 -0.253 NA ATOM 29 C LIG 1 -6.759 -0.393 0.435 0.00 0.00 +0.071 A ATOM 30 C LIG 1 -6.348 0.922 0.221 0.00 0.00 +0.030 A ATOM 31 C LIG 1 -5.005 1.195 -0.058 0.00 0.00 +0.027 A BRANCH 29 32 ATOM 32 C LIG 1 -8.159 -0.763 0.736 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.676 -2.008 0.330 0.00 0.00 +0.010 A ATOM 34 C LIG 1 -9.998 -2.376 0.599 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -10.836 -1.505 1.288 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -10.350 -0.271 1.711 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -9.027 0.094 1.440 0.00 0.00 +0.010 A ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 8 20 TORSDOF 6