REMARK Name = LIG000291 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.600 -1.820 -1.462 0.00 0.00 -0.260 N ATOM 2 C LIG 1 3.380 -1.442 -0.940 0.00 0.00 +0.093 A ATOM 3 C LIG 1 2.455 -2.057 -1.784 0.00 0.00 +0.131 A ATOM 4 N LIG 1 1.109 -1.945 -1.664 0.00 0.00 -0.242 NA ATOM 5 C LIG 1 0.672 -1.181 -0.646 0.00 0.00 +0.072 A ATOM 6 C LIG 1 1.535 -0.556 0.255 0.00 0.00 +0.035 A ATOM 7 C LIG 1 3.218 -2.778 -2.739 0.00 0.00 +0.164 A ATOM 8 C LIG 1 2.941 -0.658 0.145 0.00 0.00 -0.004 A ATOM 9 N LIG 1 4.521 -2.620 -2.548 0.00 0.00 -0.154 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -0.799 -1.056 -0.541 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -1.412 0.155 -0.148 0.00 0.00 +0.016 A ATOM 12 C LIG 1 -2.794 0.223 -0.064 0.00 0.00 -0.017 A ATOM 13 C LIG 1 -3.672 1.373 0.298 0.00 0.00 +0.144 C ATOM 14 N LIG 1 -5.002 0.780 0.277 0.00 0.00 -0.282 N ATOM 15 C LIG 1 -4.983 -0.518 -0.201 0.00 0.00 +0.248 C ATOM 16 O LIG 1 -5.923 -1.236 -0.474 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -3.573 -0.889 -0.368 0.00 0.00 +0.042 A ATOM 18 C LIG 1 -3.029 -2.090 -0.769 0.00 0.00 +0.014 A ATOM 19 C LIG 1 -1.634 -2.164 -0.853 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 -6.195 1.605 0.441 0.00 0.00 +0.163 C ATOM 21 C LIG 1 -6.810 1.924 -0.921 0.00 0.00 +0.240 C ATOM 22 O LIG 1 -6.203 2.563 -1.781 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 -8.063 1.428 -1.174 0.00 0.00 -0.255 N ATOM 24 H LIG 1 -8.446 1.643 -2.084 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 -8.825 0.595 -0.399 0.00 0.00 +0.219 C ATOM 26 O LIG 1 -9.932 0.225 -0.784 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 -8.245 0.143 0.916 0.00 0.00 +0.098 C ATOM 28 C LIG 1 -7.209 1.106 1.468 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 5 10 BRANCH 7 29 ATOM 29 N LIG 1 2.692 -3.515 -3.733 0.00 0.00 -0.340 N ATOM 30 H LIG 1 3.298 -3.717 -4.518 0.00 0.00 +0.144 HD ATOM 31 H LIG 1 1.724 -3.341 -3.986 0.00 0.00 +0.144 HD ENDBRANCH 7 29 BRANCH 1 33 ATOM 32 C LIG 1 6.445 -2.369 0.082 0.00 0.00 +0.029 C ATOM 33 C LIG 1 5.932 -1.457 -1.019 0.00 0.00 +0.141 C ENDBRANCH 1 33 BRANCH 8 34 ATOM 34 C LIG 1 3.787 0.048 1.184 0.00 0.00 +0.121 C BRANCH 34 35 ATOM 35 N LIG 1 3.532 1.498 1.221 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 4.114 2.207 0.070 0.00 0.00 +0.085 C ATOM 37 C LIG 1 5.541 2.573 0.460 0.00 0.00 +0.017 C ATOM 38 C LIG 1 5.604 2.405 1.971 0.00 0.00 +0.017 C ATOM 39 C LIG 1 4.169 2.128 2.387 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 6