REMARK Name = LIG000696 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.092 0.602 0.775 0.00 0.00 +0.193 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.664 1.727 0.057 0.00 0.00 -0.018 A ATOM 3 C LIG 1 -0.314 2.162 -1.232 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -0.991 3.221 -1.847 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.031 3.881 -1.188 0.00 0.00 -0.050 A ATOM 6 C LIG 1 -2.733 5.035 -1.838 0.00 0.00 +0.044 C ATOM 7 C LIG 1 -2.362 3.487 0.109 0.00 0.00 +0.004 A ATOM 8 C LIG 1 -1.687 2.428 0.723 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 9 C LIG 1 0.229 0.740 3.699 0.00 0.00 +0.109 C ATOM 10 C LIG 1 -0.701 -0.242 3.032 0.00 0.00 +0.214 C ATOM 11 N LIG 1 -0.795 -0.229 1.639 0.00 0.00 -0.275 N ATOM 12 O LIG 1 -1.364 -1.009 3.732 0.00 0.00 -0.276 OA BRANCH 11 13 ATOM 13 C LIG 1 -1.638 -1.299 1.042 0.00 0.00 +0.164 C ATOM 14 C LIG 1 -0.815 -2.579 0.800 0.00 0.00 +0.240 C ATOM 15 O LIG 1 0.232 -2.834 1.396 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -1.345 -3.480 -0.092 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -0.795 -4.311 -0.257 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -2.457 -3.331 -0.880 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -2.784 -4.199 -1.684 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -3.289 -2.092 -0.650 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -2.431 -0.915 -0.207 0.00 0.00 +0.041 C ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 1 22 ATOM 22 C LIG 1 1.017 -0.271 -0.131 0.00 0.00 +0.239 C ATOM 23 N LIG 1 2.294 -0.454 0.378 0.00 0.00 -0.309 N ATOM 24 H LIG 1 2.362 -0.409 1.388 0.00 0.00 +0.149 HD ATOM 25 O LIG 1 0.635 -0.783 -1.181 0.00 0.00 -0.273 OA BRANCH 23 26 ATOM 26 C LIG 1 3.353 -1.233 -0.288 0.00 0.00 +0.026 C ATOM 27 C LIG 1 3.648 -0.679 -1.692 0.00 0.00 +0.031 C ATOM 28 C LIG 1 2.984 -2.721 -0.376 0.00 0.00 +0.031 C ATOM 29 C LIG 1 4.635 -1.097 0.555 0.00 0.00 +0.031 C ENDBRANCH 23 26 ENDBRANCH 1 22 TORSDOF 5