REMARK Name = LIG000921 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.893 -0.503 -0.020 0.00 0.00 +0.072 A ATOM 2 N LIG 1 -1.237 0.801 0.117 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -2.559 1.069 -0.021 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -3.506 0.103 -0.295 0.00 0.00 +0.090 A ATOM 5 N LIG 1 -4.693 0.781 -0.361 0.00 0.00 -0.273 N ATOM 6 H LIG 1 -5.608 0.369 -0.520 0.00 0.00 +0.189 HD ATOM 7 N LIG 1 -4.588 2.111 -0.177 0.00 0.00 -0.156 NA ATOM 8 C LIG 1 -3.190 -1.249 -0.440 0.00 0.00 -0.004 A ATOM 9 C LIG 1 -3.283 2.296 0.051 0.00 0.00 +0.167 A ATOM 10 C LIG 1 -1.818 -1.521 -0.303 0.00 0.00 +0.035 A ENDROOT BRANCH 1 17 ATOM 11 N LIG 1 5.160 -0.161 -0.233 0.00 0.00 -0.282 N ATOM 12 C LIG 1 4.744 -1.310 0.424 0.00 0.00 +0.248 C ATOM 13 O LIG 1 5.422 -2.176 0.940 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 3.277 -1.299 0.407 0.00 0.00 +0.042 A ATOM 15 C LIG 1 2.860 -0.111 -0.181 0.00 0.00 -0.017 A ATOM 16 C LIG 1 1.508 0.160 -0.323 0.00 0.00 +0.016 A ATOM 17 C LIG 1 0.555 -0.781 0.130 0.00 0.00 +0.001 A ATOM 18 C LIG 1 1.026 -1.976 0.739 0.00 0.00 +0.011 A ATOM 19 C LIG 1 2.392 -2.245 0.880 0.00 0.00 +0.014 A ATOM 20 C LIG 1 4.042 0.718 -0.550 0.00 0.00 +0.144 C BRANCH 11 27 ATOM 21 O LIG 1 10.473 0.674 0.968 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 9.306 0.502 0.625 0.00 0.00 +0.219 C ATOM 23 N LIG 1 8.268 0.923 1.416 0.00 0.00 -0.255 N ATOM 24 H LIG 1 8.524 1.345 2.298 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 6.924 0.926 1.119 0.00 0.00 +0.240 C ATOM 26 O LIG 1 6.123 1.477 1.873 0.00 0.00 -0.273 OA ATOM 27 C LIG 1 6.535 0.328 -0.243 0.00 0.00 +0.163 C ATOM 28 C LIG 1 7.557 -0.721 -0.680 0.00 0.00 +0.041 C ATOM 29 C LIG 1 8.941 -0.093 -0.715 0.00 0.00 +0.098 C ENDBRANCH 11 27 ENDBRANCH 1 17 BRANCH 9 30 ATOM 30 N LIG 1 -2.678 3.482 0.307 0.00 0.00 -0.319 N ATOM 31 H LIG 1 -1.662 3.487 0.235 0.00 0.00 +0.148 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.305 4.747 0.030 0.00 0.00 +0.123 C ATOM 33 C LIG 1 -3.086 5.230 -1.410 0.00 0.00 +0.184 C ATOM 34 O LIG 1 -2.051 6.156 -0.982 0.00 0.00 -0.376 OA ATOM 35 C LIG 1 -2.428 5.948 0.404 0.00 0.00 +0.184 C ENDBRANCH 30 32 ENDBRANCH 9 30 BRANCH 8 36 ATOM 36 C LIG 1 -4.179 -2.334 -0.796 0.00 0.00 +0.121 C BRANCH 36 37 ATOM 37 N LIG 1 -5.546 -2.046 -0.313 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 -6.525 -2.970 -0.911 0.00 0.00 +0.085 C ATOM 39 C LIG 1 -6.478 -4.236 -0.070 0.00 0.00 +0.017 C ATOM 40 C LIG 1 -5.976 -3.782 1.293 0.00 0.00 +0.017 C ATOM 41 C LIG 1 -5.677 -2.297 1.136 0.00 0.00 +0.085 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 6