REMARK Name = LIG001264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.711 -2.467 0.102 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -1.475 -1.500 0.783 0.00 0.00 +0.011 A ATOM 3 C LIG 1 -2.594 -0.978 0.156 0.00 0.00 -0.018 A ATOM 4 C LIG 1 -3.580 0.028 0.647 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -4.458 0.201 -0.504 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -4.157 -0.685 -1.528 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -4.754 -0.854 -2.573 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -2.944 -1.402 -1.123 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -2.214 -2.342 -1.825 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -1.083 -2.874 -1.201 0.00 0.00 +0.006 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.730 0.911 -0.446 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.767 0.181 0.425 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -6.632 -0.960 0.859 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.899 0.909 0.720 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -8.565 0.430 1.309 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -7.971 2.277 0.778 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -8.856 2.837 1.419 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -6.925 3.044 0.005 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -5.576 2.341 0.061 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 C LIG 1 0.528 -3.035 0.747 0.00 0.00 +0.139 C BRANCH 20 22 ATOM 21 C LIG 1 2.826 -2.367 1.226 0.00 0.00 +0.244 C ATOM 22 N LIG 1 1.652 -2.154 0.548 0.00 0.00 -0.307 N ATOM 23 H LIG 1 1.677 -1.611 -0.305 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 2.975 -3.222 2.090 0.00 0.00 -0.270 OA BRANCH 21 32 ATOM 25 C LIG 1 8.586 2.591 -1.160 0.00 0.00 +0.045 C ATOM 26 C LIG 1 7.331 1.883 -0.735 0.00 0.00 -0.029 A ATOM 27 C LIG 1 6.130 2.570 -0.504 0.00 0.00 +0.045 A ATOM 28 CL LIG 1 6.018 4.282 -0.703 0.00 0.00 -0.083 Cl ATOM 29 C LIG 1 4.976 1.884 -0.106 0.00 0.00 +0.031 A ATOM 30 C LIG 1 5.010 0.500 0.079 0.00 0.00 +0.019 A ATOM 31 C LIG 1 3.811 -0.236 0.461 0.00 0.00 +0.023 C ATOM 32 C LIG 1 3.965 -1.528 0.780 0.00 0.00 +0.052 C ATOM 33 C LIG 1 5.306 -2.198 0.784 0.00 0.00 +0.269 C ATOM 34 O LIG 1 6.320 -1.548 -0.005 0.00 0.00 -0.487 OA ATOM 35 C LIG 1 6.207 -0.190 -0.136 0.00 0.00 +0.128 A ATOM 36 C LIG 1 7.353 0.492 -0.549 0.00 0.00 +0.051 A ENDBRANCH 21 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 4