REMARK Name = LIG000492 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.171 -0.054 -0.188 0.00 0.00 +0.030 A ATOM 2 C LIG 1 -0.626 1.234 -0.238 0.00 0.00 +0.025 A ATOM 3 C LIG 1 0.757 1.454 -0.346 0.00 0.00 +0.025 A ATOM 4 C LIG 1 1.668 0.394 -0.388 0.00 0.00 +0.028 A ATOM 5 C LIG 1 1.134 -0.892 -0.381 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.251 -1.108 -0.267 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -6.530 -0.125 0.884 0.00 0.00 +0.105 C ATOM 8 N LIG 1 -5.483 -0.788 0.111 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 -4.860 0.126 -0.870 0.00 0.00 +0.103 C ATOM 10 C LIG 1 -3.515 0.760 -0.442 0.00 0.00 +0.120 C ATOM 11 N LIG 1 -2.532 -0.271 -0.071 0.00 0.00 -0.327 N ATOM 12 C LIG 1 -3.077 -1.568 0.365 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -4.470 -1.381 1.011 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 4 14 ATOM 14 N LIG 1 3.022 0.692 -0.561 0.00 0.00 -0.333 N ATOM 15 H LIG 1 3.246 1.583 -0.126 0.00 0.00 +0.147 HD BRANCH 14 16 ATOM 16 C LIG 1 4.059 -0.340 -0.406 0.00 0.00 +0.158 C ATOM 17 C LIG 1 4.250 -0.738 1.062 0.00 0.00 +0.239 C ATOM 18 O LIG 1 3.795 -1.772 1.547 0.00 0.00 -0.273 OA ATOM 19 N LIG 1 4.989 0.129 1.832 0.00 0.00 -0.255 N ATOM 20 H LIG 1 5.108 -0.168 2.792 0.00 0.00 +0.158 HD ATOM 21 C LIG 1 5.997 0.931 1.367 0.00 0.00 +0.219 C ATOM 22 O LIG 1 6.880 1.335 2.119 0.00 0.00 -0.275 OA ATOM 23 C LIG 1 5.950 1.310 -0.093 0.00 0.00 +0.098 C ATOM 24 C LIG 1 5.391 0.182 -0.949 0.00 0.00 +0.041 C ENDBRANCH 14 16 ENDBRANCH 4 14 TORSDOF 3