REMARK Name = LIG001160 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.262 -2.275 -2.351 0.00 0.00 +0.016 A ATOM 2 C LIG 1 0.099 -1.280 -1.409 0.00 0.00 +0.163 A ATOM 3 N LIG 1 1.368 -0.981 -0.905 0.00 0.00 -0.200 N ATOM 4 C LIG 1 1.530 0.018 0.094 0.00 0.00 +0.126 A ATOM 5 C LIG 1 0.422 0.656 0.516 0.00 0.00 +0.087 A ATOM 6 C LIG 1 -0.921 0.297 -0.072 0.00 0.00 +0.127 A ATOM 7 N LIG 1 2.322 -1.758 -1.506 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -1.027 -0.645 -0.983 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 1.645 -2.523 -2.361 0.00 0.00 +0.140 A ENDROOT BRANCH 6 10 ATOM 10 N LIG 1 -2.094 0.942 0.333 0.00 0.00 -0.312 N ATOM 11 C LIG 1 -3.413 0.338 0.010 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -4.440 0.640 1.125 0.00 0.00 +0.022 C ATOM 13 C LIG 1 -3.789 0.612 2.507 0.00 0.00 +0.003 C ATOM 14 C LIG 1 -2.629 1.609 2.609 0.00 0.00 +0.019 C ATOM 15 C LIG 1 -2.151 2.083 1.239 0.00 0.00 +0.107 C BRANCH 11 16 ATOM 16 C LIG 1 -3.889 0.832 -1.365 0.00 0.00 +0.050 C BRANCH 16 17 ATOM 17 C LIG 1 -5.159 0.135 -1.835 0.00 0.00 +0.157 C BRANCH 17 18 ATOM 18 O LIG 1 -5.505 0.570 -3.145 0.00 0.00 -0.395 OA ATOM 19 H LIG 1 -5.530 1.542 -3.141 0.00 0.00 +0.209 HD ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 6 10 BRANCH 1 21 ATOM 20 C LIG 1 -1.500 -4.049 -2.423 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -0.792 -2.930 -3.172 0.00 0.00 +0.037 C ENDBRANCH 1 21 BRANCH 4 22 ATOM 22 N LIG 1 2.787 0.329 0.632 0.00 0.00 -0.325 N ATOM 23 H LIG 1 2.811 1.196 1.161 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 4.072 -0.107 0.113 0.00 0.00 +0.139 C BRANCH 24 25 ATOM 25 C LIG 1 5.171 0.519 0.935 0.00 0.00 -0.011 A ATOM 26 C LIG 1 5.802 1.689 0.499 0.00 0.00 +0.138 A ATOM 27 N LIG 1 6.794 2.302 1.245 0.00 0.00 -0.147 N ATOM 28 O LIG 1 7.348 3.367 0.835 0.00 0.00 -0.164 OA ATOM 29 C LIG 1 7.160 1.734 2.452 0.00 0.00 +0.133 A ATOM 30 C LIG 1 6.549 0.574 2.925 0.00 0.00 +0.022 A ATOM 31 C LIG 1 5.551 -0.028 2.165 0.00 0.00 +0.008 A ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 4 22 TORSDOF 8