REMARK Name = LIG000702 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.750 0.447 -0.845 0.00 0.00 +0.193 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.787 1.426 0.332 0.00 0.00 -0.018 A ATOM 3 C LIG 1 -0.122 1.183 1.544 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -0.205 2.096 2.599 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.967 3.262 2.474 0.00 0.00 -0.050 A ATOM 6 C LIG 1 -1.026 4.256 3.595 0.00 0.00 +0.044 C ATOM 7 C LIG 1 -1.627 3.514 1.268 0.00 0.00 +0.004 A ATOM 8 C LIG 1 -1.544 2.603 0.212 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 9 C LIG 1 -4.170 -0.782 -2.114 0.00 0.00 +0.109 C ATOM 10 C LIG 1 -2.881 -0.018 -1.949 0.00 0.00 +0.214 C ATOM 11 N LIG 1 -2.009 -0.335 -0.917 0.00 0.00 -0.275 N ATOM 12 O LIG 1 -2.654 0.912 -2.730 0.00 0.00 -0.276 OA BRANCH 11 13 ATOM 13 C LIG 1 -2.244 -1.338 0.145 0.00 0.00 +0.164 C ATOM 14 C LIG 1 -2.243 -2.795 -0.346 0.00 0.00 +0.240 C ATOM 15 O LIG 1 -1.953 -3.144 -1.488 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -2.629 -3.725 0.594 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -2.644 -4.681 0.262 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -3.402 -3.484 1.702 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -3.978 -4.399 2.282 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -3.482 -2.051 2.178 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -3.479 -1.075 1.008 0.00 0.00 +0.041 C ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 1 22 ATOM 22 C LIG 1 0.550 -0.415 -0.881 0.00 0.00 +0.238 C ATOM 23 N LIG 1 1.636 0.221 -1.462 0.00 0.00 -0.311 N ATOM 24 H LIG 1 1.558 1.214 -1.651 0.00 0.00 +0.149 HD ATOM 25 O LIG 1 0.637 -1.536 -0.381 0.00 0.00 -0.273 OA BRANCH 23 26 ATOM 26 C LIG 1 2.966 -0.369 -1.455 0.00 0.00 +0.073 C ATOM 27 C LIG 1 3.801 0.173 -2.627 0.00 0.00 +0.022 C ATOM 28 C LIG 1 5.311 0.121 -2.381 0.00 0.00 +0.002 C ATOM 29 C LIG 1 5.695 -0.995 -1.420 0.00 0.00 +0.000 C ATOM 30 C LIG 1 5.031 -0.821 -0.053 0.00 0.00 +0.002 C ATOM 31 C LIG 1 3.670 -0.125 -0.117 0.00 0.00 +0.022 C ENDBRANCH 23 26 ENDBRANCH 1 22 TORSDOF 5