REMARK Name = LIG000177 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.079 -4.354 0.332 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -1.940 -2.964 0.056 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -3.192 -2.554 -0.375 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -3.454 -1.230 -0.740 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -2.343 -0.376 -0.621 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -1.101 -0.845 -0.173 0.00 0.00 +0.072 A ATOM 7 N LIG 1 -3.961 -3.686 -0.330 0.00 0.00 -0.273 N ATOM 8 H LIG 1 -4.941 -3.778 -0.568 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 -0.870 -2.138 0.153 0.00 0.00 -0.242 NA ATOM 10 N LIG 1 -3.310 -4.792 0.071 0.00 0.00 -0.156 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.072 0.051 -0.039 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.369 -0.428 -0.334 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.457 0.421 -0.210 0.00 0.00 -0.017 A ATOM 14 C LIG 1 3.906 0.152 -0.442 0.00 0.00 +0.144 C ATOM 15 N LIG 1 4.511 1.461 -0.220 0.00 0.00 -0.282 N ATOM 16 C LIG 1 3.589 2.388 0.246 0.00 0.00 +0.248 C ATOM 17 O LIG 1 3.795 3.528 0.614 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 2.276 1.735 0.208 0.00 0.00 +0.042 A ATOM 19 C LIG 1 1.036 2.250 0.524 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -0.066 1.396 0.399 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 5.947 1.672 -0.095 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.526 1.028 1.176 0.00 0.00 +0.240 C ATOM 23 O LIG 1 5.851 0.580 2.099 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 7.900 0.966 1.229 0.00 0.00 -0.255 N ATOM 25 H LIG 1 8.271 0.525 2.061 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 8.743 0.946 0.147 0.00 0.00 +0.219 C ATOM 27 O LIG 1 9.889 0.516 0.244 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 8.193 1.497 -1.148 0.00 0.00 +0.098 C ATOM 29 C LIG 1 6.719 1.158 -1.307 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 30 ATOM 30 N LIG 1 -1.090 -5.141 0.784 0.00 0.00 -0.340 N ATOM 31 H LIG 1 -1.203 -6.141 0.682 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 -0.134 -4.807 0.716 0.00 0.00 +0.144 HD ENDBRANCH 1 30 BRANCH 4 33 ATOM 33 C LIG 1 -4.786 -0.711 -1.218 0.00 0.00 +0.122 C BRANCH 33 34 ATOM 34 N LIG 1 -5.349 0.294 -0.316 0.00 0.00 -0.296 NA ATOM 35 C LIG 1 -5.771 -0.253 0.987 0.00 0.00 +0.116 C ATOM 36 C LIG 1 -6.575 0.917 1.550 0.00 0.00 +0.130 C ATOM 37 C LIG 1 -7.303 1.484 0.337 0.00 0.00 +0.048 C ATOM 38 C LIG 1 -6.559 0.915 -0.870 0.00 0.00 +0.087 C BRANCH 36 39 ATOM 39 O LIG 1 -5.688 1.911 2.069 0.00 0.00 -0.390 OA ATOM 40 H LIG 1 -4.990 2.013 1.393 0.00 0.00 +0.210 HD ENDBRANCH 36 39 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 6