REMARK Name = LIG001898 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.454 -0.247 -1.108 0.00 0.00 +0.244 C ATOM 2 N LIG 1 -1.491 0.649 -1.519 0.00 0.00 -0.311 N ATOM 3 H LIG 1 -1.687 1.641 -1.510 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -2.369 -1.460 -1.257 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 12 ATOM 5 N LIG 1 -8.074 0.649 0.785 0.00 0.00 -0.222 N ATOM 6 C LIG 1 -7.388 -0.232 -0.006 0.00 0.00 +0.255 C ATOM 7 O LIG 1 -7.806 -1.188 -0.630 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -5.993 0.206 -0.013 0.00 0.00 +0.050 A ATOM 9 C LIG 1 -5.919 1.366 0.737 0.00 0.00 +0.049 A ATOM 10 C LIG 1 -4.731 2.046 0.923 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -3.587 1.516 0.314 0.00 0.00 +0.014 A ATOM 12 C LIG 1 -3.663 0.334 -0.467 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -4.884 -0.341 -0.626 0.00 0.00 +0.027 A ATOM 14 C LIG 1 -7.263 1.659 1.229 0.00 0.00 +0.254 C ATOM 15 O LIG 1 -7.546 2.631 1.904 0.00 0.00 -0.270 OA BRANCH 5 22 ATOM 16 O LIG 1 -13.452 -0.126 -0.030 0.00 0.00 -0.275 OA ATOM 17 C LIG 1 -12.277 0.081 0.259 0.00 0.00 +0.219 C ATOM 18 N LIG 1 -11.495 0.912 -0.507 0.00 0.00 -0.255 N ATOM 19 H LIG 1 -11.927 1.278 -1.344 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 -10.161 1.211 -0.337 0.00 0.00 +0.240 C ATOM 21 O LIG 1 -9.571 1.917 -1.154 0.00 0.00 -0.273 OA ATOM 22 C LIG 1 -9.519 0.674 0.947 0.00 0.00 +0.171 C ATOM 23 C LIG 1 -10.135 -0.672 1.321 0.00 0.00 +0.041 C ATOM 24 C LIG 1 -11.637 -0.501 1.499 0.00 0.00 +0.098 C ENDBRANCH 5 22 ENDBRANCH 1 12 BRANCH 2 25 ATOM 25 C LIG 1 -0.271 0.208 -2.166 0.00 0.00 +0.104 C BRANCH 25 26 ATOM 26 C LIG 1 0.767 -0.321 -1.175 0.00 0.00 +0.019 C BRANCH 26 27 ATOM 27 C LIG 1 1.249 0.758 -0.199 0.00 0.00 +0.002 C BRANCH 27 28 ATOM 28 C LIG 1 2.271 0.241 0.819 0.00 0.00 +0.000 C BRANCH 28 29 ATOM 29 C LIG 1 3.626 -0.102 0.195 0.00 0.00 +0.000 C BRANCH 29 30 ATOM 30 C LIG 1 4.635 -0.524 1.269 0.00 0.00 +0.002 C BRANCH 30 31 ATOM 31 C LIG 1 5.998 -0.919 0.696 0.00 0.00 +0.019 C BRANCH 31 32 ATOM 32 C LIG 1 6.766 0.261 0.102 0.00 0.00 +0.104 C BRANCH 32 33 ATOM 33 N LIG 1 8.078 -0.138 -0.364 0.00 0.00 -0.311 N ATOM 34 H LIG 1 8.221 -0.228 -1.360 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 9.153 -0.228 0.497 0.00 0.00 +0.244 C ATOM 36 O LIG 1 9.079 0.026 1.694 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 10.458 -0.626 -0.104 0.00 0.00 +0.037 A ATOM 38 C LIG 1 10.542 -1.409 -1.264 0.00 0.00 +0.013 A ATOM 39 C LIG 1 11.793 -1.755 -1.785 0.00 0.00 +0.001 A ATOM 40 C LIG 1 12.959 -1.327 -1.151 0.00 0.00 +0.000 A ATOM 41 C LIG 1 12.881 -0.565 0.014 0.00 0.00 +0.001 A ATOM 42 C LIG 1 11.635 -0.219 0.539 0.00 0.00 +0.013 A ENDBRANCH 35 37 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 2 25 TORSDOF 12