REMARK Name = LIG000543 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.526 -0.868 0.470 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.416 0.159 0.284 0.00 0.00 +0.029 A ATOM 3 C LIG 1 1.761 -0.129 0.458 0.00 0.00 -0.016 A ATOM 4 C LIG 1 2.951 0.762 0.320 0.00 0.00 +0.144 C ATOM 5 N LIG 1 4.053 -0.130 0.662 0.00 0.00 -0.282 N ATOM 6 C LIG 1 3.625 -1.425 0.911 0.00 0.00 +0.248 C ATOM 7 O LIG 1 4.308 -2.406 1.131 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 2.162 -1.413 0.813 0.00 0.00 +0.042 A ATOM 9 C LIG 1 1.266 -2.445 0.999 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -0.094 -2.161 0.825 0.00 0.00 +0.024 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 5.462 0.202 0.473 0.00 0.00 +0.163 C ATOM 12 C LIG 1 5.846 1.646 0.834 0.00 0.00 +0.240 C ATOM 13 O LIG 1 5.165 2.393 1.532 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 7.058 2.080 0.346 0.00 0.00 -0.255 N ATOM 15 H LIG 1 7.303 3.033 0.581 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.782 1.528 -0.680 0.00 0.00 +0.219 C ATOM 17 O LIG 1 8.707 2.142 -1.202 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 7.399 0.130 -1.099 0.00 0.00 +0.098 C ATOM 19 C LIG 1 5.902 -0.094 -0.962 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 21 ATOM 20 C LIG 1 -2.996 -1.325 0.397 0.00 0.00 +0.268 C ATOM 21 N LIG 1 -1.875 -0.525 0.283 0.00 0.00 -0.280 N ATOM 22 H LIG 1 -2.096 0.437 0.032 0.00 0.00 +0.155 HD ATOM 23 O LIG 1 -3.021 -2.514 0.690 0.00 0.00 -0.268 OA BRANCH 20 33 ATOM 24 C LIG 1 -6.132 -2.318 0.372 0.00 0.00 +0.066 C ATOM 25 C LIG 1 -5.534 -0.984 0.114 0.00 0.00 +0.052 A ATOM 26 N LIG 1 -6.286 0.137 -0.183 0.00 0.00 -0.303 N ATOM 27 C LIG 1 -5.392 1.189 -0.369 0.00 0.00 +0.139 A ATOM 28 C LIG 1 -5.938 2.463 -0.696 0.00 0.00 +0.047 A ATOM 29 C LIG 1 -7.272 2.612 -0.807 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -8.180 1.495 -0.601 0.00 0.00 +0.018 A ATOM 31 N LIG 1 -4.147 0.805 -0.197 0.00 0.00 -0.223 NA ATOM 32 C LIG 1 -7.670 0.290 -0.295 0.00 0.00 +0.093 A ATOM 33 C LIG 1 -4.215 -0.549 0.116 0.00 0.00 +0.147 A ENDBRANCH 20 33 ENDBRANCH 1 21 TORSDOF 3