REMARK Name = LIG001675 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.703 3.318 2.982 0.00 0.00 +0.052 C ATOM 2 C LIG 1 -3.545 2.435 1.786 0.00 0.00 -0.008 A ATOM 3 C LIG 1 -3.339 1.063 1.747 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -3.201 0.213 2.976 0.00 0.00 +0.045 C ATOM 5 C LIG 1 -3.279 0.570 0.376 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -3.237 -0.839 -0.042 0.00 0.00 +0.076 C ATOM 7 N LIG 1 -2.461 -1.281 -0.967 0.00 0.00 -0.271 NA ATOM 8 C LIG 1 -1.513 -0.420 -1.671 0.00 0.00 +0.183 C ATOM 9 C LIG 1 -2.244 0.604 -2.480 0.00 0.00 +0.163 A ATOM 10 N LIG 1 -3.041 1.573 -1.887 0.00 0.00 -0.275 N ATOM 11 C LIG 1 -3.398 2.402 -2.943 0.00 0.00 +0.135 A ATOM 12 C LIG 1 -4.320 3.561 -2.881 0.00 0.00 +0.088 C ATOM 13 N LIG 1 -2.854 1.956 -4.058 0.00 0.00 -0.134 NA ATOM 14 N LIG 1 -2.136 0.834 -3.770 0.00 0.00 -0.132 NA ATOM 15 C LIG 1 -3.296 1.634 -0.511 0.00 0.00 +0.097 A ATOM 16 S LIG 1 -3.582 3.123 0.227 0.00 0.00 -0.075 S ENDROOT BRANCH 6 17 ATOM 17 C LIG 1 -4.172 -1.811 0.603 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -5.464 -1.434 0.994 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -6.318 -2.372 1.582 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -5.886 -3.686 1.766 0.00 0.00 +0.041 A ATOM 21 CL LIG 1 -6.940 -4.835 2.492 0.00 0.00 -0.084 Cl ATOM 22 C LIG 1 -4.610 -4.074 1.362 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -3.754 -3.139 0.775 0.00 0.00 +0.011 A ENDBRANCH 6 17 BRANCH 8 24 ATOM 24 C LIG 1 -0.641 -1.320 -2.557 0.00 0.00 +0.130 C BRANCH 24 25 ATOM 25 C LIG 1 0.499 -1.908 -1.750 0.00 0.00 +0.218 C ATOM 26 N LIG 1 1.573 -1.079 -1.426 0.00 0.00 -0.298 N ATOM 27 C LIG 1 1.889 0.159 -2.156 0.00 0.00 +0.126 C ATOM 28 C LIG 1 2.740 1.133 -1.331 0.00 0.00 +0.127 C ATOM 29 N LIG 1 3.895 0.486 -0.703 0.00 0.00 -0.294 N ATOM 30 C LIG 1 4.939 1.330 -0.315 0.00 0.00 +0.248 C ATOM 31 O LIG 1 4.919 2.548 -0.469 0.00 0.00 -0.270 OA ATOM 32 C LIG 1 3.558 -0.731 0.050 0.00 0.00 +0.127 C ATOM 33 C LIG 1 2.723 -1.715 -0.776 0.00 0.00 +0.126 C ATOM 34 O LIG 1 0.450 -3.080 -1.370 0.00 0.00 -0.276 OA BRANCH 30 35 ATOM 35 C LIG 1 6.149 0.741 0.285 0.00 0.00 +0.055 A ATOM 36 C LIG 1 6.814 -0.311 -0.331 0.00 0.00 +0.124 A ATOM 37 N LIG 1 7.942 -0.880 0.160 0.00 0.00 -0.252 NA ATOM 38 CA LIG 1 8.439 -0.339 1.302 0.00 0.00 +0.103 A ATOM 39 C LIG 1 7.862 0.735 1.972 0.00 0.00 +0.032 A ATOM 40 C LIG 1 6.697 1.289 1.446 0.00 0.00 +0.017 A BRANCH 38 41 ATOM 41 C LIG 1 9.673 -0.969 1.818 0.00 0.00 +0.278 C ATOM 42 O LIG 1 10.219 -0.600 2.852 0.00 0.00 -0.294 OA ENDBRANCH 38 41 ENDBRANCH 30 35 ENDBRANCH 24 25 ENDBRANCH 8 24 TORSDOF 5