REMARK Name = LIG000651 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.121 1.792 -0.601 0.00 0.00 +0.049 A ATOM 2 C LIG 1 -1.253 2.010 -0.766 0.00 0.00 +0.030 A ATOM 3 C LIG 1 -2.126 1.249 -0.009 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -3.619 1.235 -0.007 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -3.927 0.263 1.035 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -2.786 -0.370 1.511 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -2.714 -1.302 2.290 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -1.638 0.294 0.882 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -0.289 0.059 1.060 0.00 0.00 +0.015 A ATOM 10 C LIG 1 0.599 0.825 0.304 0.00 0.00 +0.025 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.254 -0.314 1.224 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -5.671 -1.209 0.042 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -4.908 -1.591 -0.843 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -6.999 -1.567 0.015 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -7.267 -2.137 -0.776 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.029 -0.869 0.593 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -9.188 -1.023 0.219 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.661 0.074 1.715 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.324 0.750 1.447 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 N LIG 1 1.068 2.514 -1.394 0.00 0.00 -0.207 N ATOM 21 H LIG 1 0.840 3.508 -1.459 0.00 0.00 +0.175 HD BRANCH 20 22 ATOM 22 S LIG 1 1.306 1.977 -2.979 0.00 0.00 +0.110 S ATOM 23 O LIG 1 2.252 2.888 -3.580 0.00 0.00 -0.138 OA ATOM 24 O LIG 1 0.015 1.729 -3.573 0.00 0.00 -0.138 OA BRANCH 22 25 ATOM 25 N LIG 1 2.047 0.512 -2.727 0.00 0.00 -0.173 NA ATOM 26 H LIG 1 1.425 -0.163 -2.287 0.00 0.00 +0.150 HD BRANCH 25 27 ATOM 27 C LIG 1 3.412 0.546 -2.186 0.00 0.00 +0.146 C BRANCH 27 29 ATOM 28 C LIG 1 4.309 -1.222 -0.573 0.00 0.00 +0.125 A ATOM 29 C LIG 1 3.914 -0.848 -1.870 0.00 0.00 +0.010 A ATOM 30 C LIG 1 3.999 -1.791 -2.912 0.00 0.00 +0.008 A ATOM 31 C LIG 1 4.454 -3.084 -2.667 0.00 0.00 +0.001 A ATOM 32 C LIG 1 4.834 -3.450 -1.380 0.00 0.00 +0.004 A ATOM 33 C LIG 1 4.764 -2.524 -0.336 0.00 0.00 +0.046 A BRANCH 28 34 ATOM 34 O LIG 1 4.189 -0.262 0.398 0.00 0.00 -0.492 OA BRANCH 34 35 ATOM 35 C LIG 1 4.921 -0.458 1.611 0.00 0.00 +0.229 C BRANCH 35 37 ATOM 36 C LIG 1 5.547 0.734 3.747 0.00 0.00 +0.007 C ATOM 37 C LIG 1 4.780 0.816 2.439 0.00 0.00 +0.038 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 28 34 ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 9