REMARK Name = LIG001403 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.210 0.209 0.654 0.00 0.00 -0.281 N ATOM 2 C LIG 1 -5.128 1.181 1.640 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -5.956 2.022 1.933 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -3.826 1.013 2.295 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -3.138 -0.006 1.639 0.00 0.00 +0.024 A ATOM 6 C LIG 1 -1.870 -0.381 2.049 0.00 0.00 +0.126 A ATOM 7 C LIG 1 -1.310 0.309 3.132 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -2.018 1.341 3.784 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -3.297 1.704 3.365 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -3.961 -0.532 0.512 0.00 0.00 +0.148 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -7.889 -0.540 -4.070 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -7.473 -0.275 -2.946 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -6.625 0.782 -2.736 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -6.315 1.250 -3.577 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -5.804 0.955 -1.644 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -4.793 1.648 -1.735 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -6.252 0.228 -0.364 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.734 -1.173 -0.731 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -7.880 -1.068 -1.726 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 6 20 ATOM 20 O LIG 1 -1.288 -1.383 1.331 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -0.042 -1.919 1.789 0.00 0.00 +0.264 C BRANCH 21 22 ATOM 22 C LIG 1 1.161 -1.113 1.352 0.00 0.00 -0.010 A ATOM 23 C LIG 1 1.169 -0.413 0.138 0.00 0.00 +0.007 A ATOM 24 C LIG 1 2.299 0.303 -0.262 0.00 0.00 +0.005 A ATOM 25 C LIG 1 3.451 0.325 0.535 0.00 0.00 -0.033 A ATOM 26 C LIG 1 3.451 -0.388 1.741 0.00 0.00 +0.005 A ATOM 27 C LIG 1 2.320 -1.104 2.142 0.00 0.00 +0.007 A BRANCH 25 28 ATOM 28 C LIG 1 4.670 1.110 0.098 0.00 0.00 +0.119 C BRANCH 28 29 ATOM 29 N LIG 1 5.253 0.635 -1.170 0.00 0.00 -0.298 NA ATOM 30 C LIG 1 5.727 -0.757 -1.070 0.00 0.00 +0.090 C ATOM 31 C LIG 1 6.698 -1.096 -2.191 0.00 0.00 +0.091 C ATOM 32 C LIG 1 7.933 -0.224 -2.072 0.00 0.00 +0.251 C ATOM 33 F LIG 1 8.881 -0.877 -1.347 0.00 0.00 -0.206 F ATOM 34 F LIG 1 8.466 -0.049 -3.310 0.00 0.00 -0.206 F ATOM 35 C LIG 1 7.686 1.128 -1.428 0.00 0.00 +0.091 C ATOM 36 C LIG 1 6.258 1.574 -1.695 0.00 0.00 +0.090 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 6 20 TORSDOF 6