REMARK Name = LIG001692 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.407 -0.311 -0.627 0.00 0.00 +0.231 C ATOM 2 N LIG 1 -0.534 0.112 0.280 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -0.234 0.588 1.128 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.119 -0.653 -1.772 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -1.913 0.325 -0.130 0.00 0.00 +0.168 C ATOM 6 C LIG 1 -2.734 0.881 1.017 0.00 0.00 +0.240 C ATOM 7 O LIG 1 -2.335 1.667 1.863 0.00 0.00 -0.273 OA ATOM 8 N LIG 1 -3.973 0.337 0.954 0.00 0.00 -0.255 N ATOM 9 H LIG 1 -4.702 0.537 1.621 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 -4.008 -0.759 0.155 0.00 0.00 +0.221 C ATOM 11 O LIG 1 -4.959 -1.515 0.051 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -2.675 -0.939 -0.514 0.00 0.00 +0.128 C ENDBRANCH 2 5 BRANCH 1 13 ATOM 13 C LIG 1 1.853 -0.344 -0.102 0.00 0.00 +0.148 C BRANCH 13 14 ATOM 14 N LIG 1 2.695 -1.193 -0.994 0.00 0.00 -0.320 NA ATOM 15 H LIG 1 2.332 -2.153 -0.928 0.00 0.00 +0.119 HD ATOM 16 H LIG 1 2.437 -0.945 -1.962 0.00 0.00 +0.119 HD ENDBRANCH 13 14 BRANCH 13 17 ATOM 17 C LIG 1 2.435 1.064 -0.051 0.00 0.00 +0.148 C BRANCH 17 18 ATOM 18 C LIG 1 3.720 1.098 0.733 0.00 0.00 +0.307 C ATOM 19 O LIG 1 3.966 1.941 1.583 0.00 0.00 -0.251 OA BRANCH 18 20 ATOM 20 O LIG 1 4.605 0.140 0.377 0.00 0.00 -0.481 OA ATOM 21 H LIG 1 4.220 -0.484 -0.291 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 13 17 ENDBRANCH 1 13 TORSDOF 6