REMARK Name = LIG001738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.613 -0.671 -1.981 0.00 0.00 +0.223 C ATOM 2 N LIG 1 -2.468 0.772 -2.216 0.00 0.00 -0.304 N ATOM 3 H LIG 1 -3.149 1.180 -2.847 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -1.240 1.257 -2.004 0.00 0.00 +0.128 A ATOM 5 C LIG 1 -0.222 0.585 -1.391 0.00 0.00 +0.143 A ATOM 6 N LIG 1 0.909 1.361 -1.348 0.00 0.00 -0.231 NA ATOM 7 C LIG 1 0.550 2.504 -1.899 0.00 0.00 +0.198 A ATOM 8 C LIG 1 -0.469 -0.763 -0.922 0.00 0.00 +0.149 C ATOM 9 N LIG 1 -0.758 2.486 -2.319 0.00 0.00 -0.333 N ATOM 10 H LIG 1 -1.259 3.245 -2.758 0.00 0.00 +0.168 HD ATOM 11 N LIG 1 -1.578 -1.377 -1.183 0.00 0.00 -0.240 NA ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -5.535 -0.549 0.483 0.00 0.00 +0.124 A ATOM 13 C LIG 1 -4.286 -0.342 -0.099 0.00 0.00 +0.053 A ATOM 14 C LIG 1 -3.978 -0.898 -1.354 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -4.948 -1.675 -2.006 0.00 0.00 +0.053 A ATOM 16 C LIG 1 -6.201 -1.891 -1.429 0.00 0.00 +0.124 A ATOM 17 C LIG 1 -6.490 -1.322 -0.188 0.00 0.00 +0.091 A BRANCH 12 19 ATOM 18 C LIG 1 -5.010 0.732 2.416 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -5.947 -0.058 1.693 0.00 0.00 -0.495 OA ENDBRANCH 12 19 BRANCH 16 20 ATOM 20 O LIG 1 -7.045 -2.668 -2.175 0.00 0.00 -0.495 OA ATOM 21 C LIG 1 -8.310 -2.974 -1.600 0.00 0.00 +0.277 C ENDBRANCH 16 20 ENDBRANCH 1 14 BRANCH 8 22 ATOM 22 N LIG 1 0.551 -1.353 -0.203 0.00 0.00 -0.298 N ATOM 23 H LIG 1 0.239 -2.303 -0.008 0.00 0.00 +0.154 HD BRANCH 22 24 ATOM 24 C LIG 1 0.930 -0.788 1.041 0.00 0.00 +0.038 A ATOM 25 C LIG 1 2.218 -0.323 1.251 0.00 0.00 +0.003 A ATOM 26 C LIG 1 3.370 -0.240 0.308 0.00 0.00 +0.146 C ATOM 27 N LIG 1 4.453 0.235 1.165 0.00 0.00 -0.282 N ATOM 28 C LIG 1 3.997 0.586 2.426 0.00 0.00 +0.248 C ATOM 29 O LIG 1 4.622 1.107 3.330 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 2.585 0.195 2.493 0.00 0.00 +0.043 A ATOM 31 C LIG 1 1.710 0.285 3.559 0.00 0.00 +0.013 A ATOM 32 C LIG 1 0.408 -0.172 3.359 0.00 0.00 +0.003 A ATOM 33 C LIG 1 0.023 -0.706 2.114 0.00 0.00 +0.023 A BRANCH 27 34 ATOM 34 C LIG 1 5.733 0.703 0.648 0.00 0.00 +0.163 C ATOM 35 C LIG 1 5.604 2.037 -0.112 0.00 0.00 +0.240 C ATOM 36 O LIG 1 4.644 2.799 -0.033 0.00 0.00 -0.273 OA ATOM 37 N LIG 1 6.679 2.370 -0.906 0.00 0.00 -0.255 N ATOM 38 H LIG 1 6.583 3.240 -1.412 0.00 0.00 +0.158 HD ATOM 39 C LIG 1 7.652 1.523 -1.374 0.00 0.00 +0.219 C ATOM 40 O LIG 1 8.399 1.860 -2.288 0.00 0.00 -0.275 OA ATOM 41 C LIG 1 7.769 0.184 -0.686 0.00 0.00 +0.098 C ATOM 42 C LIG 1 6.404 -0.329 -0.254 0.00 0.00 +0.041 C ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 6