REMARK Name = LIG000694 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.232 -3.078 2.494 0.00 0.00 +0.164 A ATOM 2 C LIG 1 2.446 -2.396 1.523 0.00 0.00 +0.131 A ATOM 3 C LIG 1 3.361 -1.746 0.714 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.964 -0.960 -0.372 0.00 0.00 -0.004 A ATOM 5 C LIG 1 1.574 -0.878 -0.546 0.00 0.00 +0.035 A ATOM 6 C LIG 1 0.693 -1.548 0.314 0.00 0.00 +0.072 A ATOM 7 N LIG 1 4.587 -2.057 1.245 0.00 0.00 -0.273 N ATOM 8 H LIG 1 5.498 -1.732 0.929 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 1.103 -2.321 1.348 0.00 0.00 -0.242 NA ATOM 10 N LIG 1 4.535 -2.851 2.332 0.00 0.00 -0.156 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.776 -1.462 0.147 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -1.406 -0.263 -0.253 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -2.786 -0.233 -0.397 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -3.680 0.899 -0.777 0.00 0.00 +0.144 C ATOM 15 N LIG 1 -4.991 0.267 -0.835 0.00 0.00 -0.282 N ATOM 16 C LIG 1 -4.956 -1.039 -0.366 0.00 0.00 +0.248 C ATOM 17 O LIG 1 -5.887 -1.790 -0.154 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -3.544 -1.370 -0.142 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -2.982 -2.562 0.264 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -1.591 -2.598 0.406 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 -6.208 1.059 -0.971 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -6.732 1.517 0.399 0.00 0.00 +0.240 C ATOM 23 O LIG 1 -6.000 1.761 1.358 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 -8.082 1.770 0.475 0.00 0.00 -0.255 N ATOM 25 H LIG 1 -8.418 2.106 1.367 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 -9.002 1.746 -0.543 0.00 0.00 +0.219 C ATOM 27 O LIG 1 -10.149 2.149 -0.368 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 -8.506 1.293 -1.896 0.00 0.00 +0.098 C ATOM 29 C LIG 1 -7.314 0.359 -1.762 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 30 ATOM 30 N LIG 1 2.726 -3.840 3.478 0.00 0.00 -0.340 N ATOM 31 H LIG 1 1.746 -3.720 3.715 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 3.329 -4.020 4.271 0.00 0.00 +0.144 HD ENDBRANCH 1 30 BRANCH 4 33 ATOM 33 C LIG 1 3.923 -0.242 -1.282 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 3.904 1.222 -1.162 0.00 0.00 -0.297 NA ATOM 35 C LIG 1 5.011 1.825 -1.920 0.00 0.00 +0.091 C ATOM 36 C LIG 1 6.181 1.999 -0.950 0.00 0.00 +0.035 C ATOM 37 C LIG 1 5.534 2.097 0.423 0.00 0.00 +0.035 C ATOM 38 C LIG 1 6.269 1.067 1.260 0.00 0.00 +0.165 C ATOM 39 O LIG 1 6.726 0.072 0.338 0.00 0.00 -0.379 OA ATOM 40 C LIG 1 7.110 0.794 -0.844 0.00 0.00 +0.165 C ATOM 41 C LIG 1 4.059 1.761 0.196 0.00 0.00 +0.091 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 5