REMARK Name = LIG001210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.380 -3.275 1.098 0.00 0.00 +0.154 C ATOM 2 N LIG 1 -0.028 -1.947 0.741 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.824 -0.939 0.274 0.00 0.00 +0.071 A ATOM 4 C LIG 1 0.041 0.178 -0.034 0.00 0.00 +0.071 A ATOM 5 C LIG 1 0.603 1.332 -0.539 0.00 0.00 +0.029 A ATOM 6 C LIG 1 1.992 1.343 -0.724 0.00 0.00 +0.019 A ATOM 7 C LIG 1 2.779 0.215 -0.408 0.00 0.00 +0.027 A ATOM 8 N LIG 1 -1.296 -0.141 0.256 0.00 0.00 -0.280 N ATOM 9 C LIG 1 2.192 -0.949 0.098 0.00 0.00 +0.044 A ATOM 10 C LIG 1 -1.355 -1.481 0.706 0.00 0.00 +0.331 A ATOM 11 O LIG 1 -2.363 -2.106 0.998 0.00 0.00 -0.246 OA ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -2.450 0.696 0.005 0.00 0.00 +0.179 C ATOM 13 C LIG 1 -3.210 0.195 -1.231 0.00 0.00 +0.242 C ATOM 14 O LIG 1 -2.670 -0.337 -2.200 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -4.557 0.482 -1.267 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -5.047 0.180 -2.097 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -5.289 1.216 -0.368 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -6.459 1.511 -0.594 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -4.557 1.713 0.856 0.00 0.00 +0.099 C ATOM 20 C LIG 1 -3.388 0.805 1.207 0.00 0.00 +0.044 C ENDBRANCH 8 12 BRANCH 7 21 ATOM 21 C LIG 1 4.195 0.262 -0.611 0.00 0.00 -0.064 C ATOM 22 C LIG 1 5.384 0.293 -0.779 0.00 0.00 -0.069 C BRANCH 22 23 ATOM 23 C LIG 1 6.832 0.326 -0.981 0.00 0.00 +0.244 C BRANCH 23 24 ATOM 24 O LIG 1 7.497 -0.031 0.222 0.00 0.00 -0.383 OA ATOM 25 H LIG 1 7.128 0.534 0.923 0.00 0.00 +0.211 HD ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 7 21 TORSDOF 4