REMARK Name = LIG001476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.481 -0.929 -0.950 0.00 0.00 -0.016 A ATOM 2 C LIG 1 -1.850 -1.110 -0.628 0.00 0.00 +0.073 A ATOM 3 C LIG 1 -2.435 -2.374 -0.623 0.00 0.00 +0.100 A ATOM 4 N LIG 1 -3.779 -2.604 -0.310 0.00 0.00 -0.131 NA ATOM 5 N LIG 1 -4.525 -1.653 -0.014 0.00 0.00 -0.061 NA ATOM 6 N LIG 1 -4.058 -0.376 0.059 0.00 0.00 -0.198 N ATOM 7 C LIG 1 -1.652 -3.487 -0.950 0.00 0.00 +0.030 A ATOM 8 C LIG 1 -0.308 -3.340 -1.277 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -2.766 -0.010 -0.282 0.00 0.00 +0.279 A ATOM 10 O LIG 1 -2.387 1.158 -0.292 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 0.270 -2.072 -1.278 0.00 0.00 +0.006 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -5.050 0.670 0.305 0.00 0.00 +0.199 C ATOM 13 C LIG 1 -5.774 1.014 -1.002 0.00 0.00 +0.244 C ATOM 14 O LIG 1 -5.329 0.790 -2.126 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -6.978 1.670 -0.859 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -7.451 1.907 -1.721 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -7.710 1.845 0.289 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -8.835 2.333 0.255 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -7.037 1.452 1.584 0.00 0.00 +0.099 C ATOM 20 C LIG 1 -6.076 0.293 1.375 0.00 0.00 +0.046 C ENDBRANCH 6 12 BRANCH 1 21 ATOM 21 C LIG 1 0.148 0.451 -0.939 0.00 0.00 +0.142 C BRANCH 21 25 ATOM 22 N LIG 1 3.783 0.480 -0.867 0.00 0.00 -0.269 N ATOM 23 H LIG 1 3.817 0.509 -1.875 0.00 0.00 +0.156 HD ATOM 24 C LIG 1 2.526 0.309 -0.328 0.00 0.00 +0.304 C ATOM 25 N LIG 1 1.558 0.494 -1.298 0.00 0.00 -0.295 N ATOM 26 H LIG 1 1.792 1.192 -1.988 0.00 0.00 +0.151 HD ATOM 27 O LIG 1 2.259 0.007 0.827 0.00 0.00 -0.252 OA BRANCH 22 33 ATOM 28 C LIG 1 8.922 0.351 1.688 0.00 0.00 +0.045 C ATOM 29 C LIG 1 7.580 0.384 1.014 0.00 0.00 -0.032 A ATOM 30 C LIG 1 7.446 0.468 -0.378 0.00 0.00 +0.046 A ATOM 31 CL LIG 1 8.827 0.540 -1.414 0.00 0.00 -0.083 Cl ATOM 32 C LIG 1 6.180 0.496 -0.975 0.00 0.00 +0.043 A ATOM 33 C LIG 1 5.021 0.439 -0.194 0.00 0.00 +0.036 A ATOM 34 C LIG 1 5.149 0.362 1.192 0.00 0.00 +0.024 A ATOM 35 C LIG 1 6.414 0.333 1.791 0.00 0.00 +0.006 A ENDBRANCH 22 33 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 4