REMARK Name = LIG001843 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.501 1.501 3.221 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -2.050 0.723 2.122 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -3.178 0.473 1.347 0.00 0.00 +0.094 A ATOM 4 C LIG 1 -3.086 -0.271 0.156 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -1.787 -0.729 -0.142 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -0.698 -0.447 0.689 0.00 0.00 +0.072 A ATOM 7 N LIG 1 -4.190 1.102 2.037 0.00 0.00 -0.257 N ATOM 8 N LIG 1 -0.802 0.287 1.816 0.00 0.00 -0.242 NA ATOM 9 N LIG 1 -3.802 1.752 3.152 0.00 0.00 -0.153 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 0.669 -0.920 0.375 0.00 0.00 +0.001 A ATOM 11 C LIG 1 1.784 -0.091 0.638 0.00 0.00 +0.016 A ATOM 12 C LIG 1 3.058 -0.543 0.337 0.00 0.00 -0.017 A ATOM 13 C LIG 1 4.375 0.140 0.500 0.00 0.00 +0.144 C ATOM 14 N LIG 1 5.319 -0.886 0.073 0.00 0.00 -0.282 N ATOM 15 C LIG 1 4.677 -2.009 -0.430 0.00 0.00 +0.248 C ATOM 16 O LIG 1 5.176 -2.987 -0.952 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 3.240 -1.806 -0.217 0.00 0.00 +0.042 A ATOM 18 C LIG 1 2.190 -2.657 -0.489 0.00 0.00 +0.014 A ATOM 19 C LIG 1 0.901 -2.205 -0.184 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 6.729 -0.623 -0.187 0.00 0.00 +0.163 C ATOM 21 C LIG 1 6.935 0.279 -1.415 0.00 0.00 +0.240 C ATOM 22 O LIG 1 6.056 0.568 -2.224 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 8.209 0.779 -1.569 0.00 0.00 -0.255 N ATOM 24 H LIG 1 8.332 1.384 -2.369 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 9.122 0.968 -0.563 0.00 0.00 +0.219 C ATOM 26 O LIG 1 10.064 1.744 -0.700 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 8.916 0.162 0.698 0.00 0.00 +0.098 C ATOM 28 C LIG 1 7.436 0.002 1.012 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 6 10 BRANCH 1 29 ATOM 29 N LIG 1 -1.707 1.952 4.209 0.00 0.00 -0.340 N ATOM 30 H LIG 1 -0.705 1.968 4.049 0.00 0.00 +0.144 HD ATOM 31 H LIG 1 -2.059 2.724 4.762 0.00 0.00 +0.144 HD ENDBRANCH 1 29 BRANCH 7 32 ATOM 32 C LIG 1 -5.623 1.103 1.650 0.00 0.00 +0.108 C ATOM 33 C LIG 1 -6.527 -0.085 1.891 0.00 0.00 +0.029 C ATOM 34 C LIG 1 -6.734 1.172 2.678 0.00 0.00 +0.029 C ENDBRANCH 7 32 BRANCH 4 35 ATOM 35 C LIG 1 -4.223 -0.582 -0.790 0.00 0.00 +0.121 C BRANCH 35 36 ATOM 36 N LIG 1 -4.741 0.618 -1.463 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 -3.823 1.148 -2.484 0.00 0.00 +0.085 C ATOM 38 C LIG 1 -4.093 0.345 -3.748 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -5.502 -0.204 -3.575 0.00 0.00 +0.017 C ATOM 40 C LIG 1 -5.965 0.314 -2.221 0.00 0.00 +0.085 C ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 6