REMARK Name = LIG000440 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.013 -2.244 1.114 0.00 0.00 -0.258 N ATOM 2 C LIG 1 -3.014 -1.416 0.623 0.00 0.00 +0.094 A ATOM 3 C LIG 1 -1.863 -1.873 1.276 0.00 0.00 +0.131 A ATOM 4 N LIG 1 -0.612 -1.385 1.091 0.00 0.00 -0.242 NA ATOM 5 C LIG 1 -0.493 -0.390 0.197 0.00 0.00 +0.072 A ATOM 6 C LIG 1 -1.585 0.122 -0.498 0.00 0.00 +0.035 A ATOM 7 C LIG 1 -2.284 -2.905 2.147 0.00 0.00 +0.164 A ATOM 8 C LIG 1 -2.908 -0.344 -0.294 0.00 0.00 -0.004 A ATOM 9 N LIG 1 -3.590 -3.103 2.076 0.00 0.00 -0.153 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 0.885 0.117 -0.000 0.00 0.00 +0.001 A ATOM 11 C LIG 1 1.986 -0.764 0.098 0.00 0.00 +0.016 A ATOM 12 C LIG 1 3.271 -0.280 -0.090 0.00 0.00 -0.017 A ATOM 13 C LIG 1 4.577 -0.992 -0.018 0.00 0.00 +0.144 C ATOM 14 N LIG 1 5.528 0.043 -0.401 0.00 0.00 -0.282 N ATOM 15 C LIG 1 4.921 1.286 -0.513 0.00 0.00 +0.248 C ATOM 16 O LIG 1 5.442 2.371 -0.684 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 3.478 1.066 -0.369 0.00 0.00 +0.042 A ATOM 18 C LIG 1 2.443 1.973 -0.463 0.00 0.00 +0.014 A ATOM 19 C LIG 1 1.143 1.488 -0.275 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 6.966 -0.161 -0.267 0.00 0.00 +0.163 C ATOM 21 C LIG 1 7.458 0.236 1.133 0.00 0.00 +0.240 C ATOM 22 O LIG 1 6.770 0.137 2.149 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 8.780 0.607 1.226 0.00 0.00 -0.255 N ATOM 24 H LIG 1 9.110 0.835 2.154 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 9.729 0.600 0.235 0.00 0.00 +0.219 C ATOM 26 O LIG 1 10.909 0.823 0.488 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 9.261 0.216 -1.150 0.00 0.00 +0.098 C ATOM 28 C LIG 1 7.790 0.544 -1.345 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 5 10 BRANCH 1 30 ATOM 29 C LIG 1 -5.672 -2.706 -0.709 0.00 0.00 +0.032 C ATOM 30 C LIG 1 -5.424 -2.378 0.762 0.00 0.00 +0.102 C ATOM 31 C LIG 1 -6.285 -1.252 1.328 0.00 0.00 +0.032 C ENDBRANCH 1 30 BRANCH 7 32 ATOM 32 N LIG 1 -1.468 -3.589 2.970 0.00 0.00 -0.340 N ATOM 33 H LIG 1 -0.572 -3.166 3.190 0.00 0.00 +0.144 HD ATOM 34 H LIG 1 -1.910 -4.051 3.755 0.00 0.00 +0.144 HD ENDBRANCH 7 32 BRANCH 8 35 ATOM 35 C LIG 1 -4.008 0.324 -1.097 0.00 0.00 +0.121 C BRANCH 35 36 ATOM 36 N LIG 1 -3.893 1.795 -1.127 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 -4.812 2.392 -2.107 0.00 0.00 +0.085 C ATOM 38 C LIG 1 -6.139 2.529 -1.384 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -5.751 2.764 0.067 0.00 0.00 +0.017 C ATOM 40 C LIG 1 -4.269 2.414 0.156 0.00 0.00 +0.085 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 6