REMARK Name = LIG001307 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.770 -0.683 -1.115 0.00 0.00 -0.287 NA ATOM 2 H LIG 1 -1.193 0.183 -0.778 0.00 0.00 +0.125 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.075 -1.713 -0.140 0.00 0.00 +0.216 C BRANCH 3 5 ATOM 4 C LIG 1 -3.251 -0.793 0.886 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -2.574 -1.778 0.121 0.00 0.00 +0.016 A ATOM 6 C LIG 1 -3.300 -2.847 -0.442 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -4.678 -2.948 -0.266 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -5.350 -1.972 0.457 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -4.646 -0.899 1.011 0.00 0.00 +0.023 A BRANCH 4 11 ATOM 10 C LIG 1 -3.091 1.097 2.469 0.00 0.00 +0.125 C ATOM 11 N LIG 1 -2.541 0.322 1.372 0.00 0.00 -0.347 N ATOM 12 H LIG 1 -1.558 0.078 1.526 0.00 0.00 +0.146 HD ENDBRANCH 4 11 ENDBRANCH 3 5 BRANCH 3 13 ATOM 13 O LIG 1 -0.399 -1.471 1.086 0.00 0.00 -0.373 OA ATOM 14 H LIG 1 -0.806 -2.079 1.727 0.00 0.00 +0.212 HD ENDBRANCH 3 13 ENDBRANCH 1 3 BRANCH 1 15 ATOM 15 C LIG 1 0.664 -0.505 -1.350 0.00 0.00 +0.099 C BRANCH 15 16 ATOM 16 C LIG 1 1.289 0.642 -0.517 0.00 0.00 +0.103 C BRANCH 16 17 ATOM 17 N LIG 1 2.755 0.781 -0.697 0.00 0.00 -0.260 NA ATOM 18 C LIG 1 3.284 1.705 0.285 0.00 0.00 +0.280 C ATOM 19 N LIG 1 4.686 1.812 0.127 0.00 0.00 -0.278 N ATOM 20 H LIG 1 5.161 2.284 0.881 0.00 0.00 +0.152 HD ATOM 21 C LIG 1 5.254 2.029 -1.091 0.00 0.00 +0.217 C ATOM 22 O LIG 1 6.319 2.629 -1.198 0.00 0.00 -0.276 OA ATOM 23 C LIG 1 4.569 1.376 -2.257 0.00 0.00 +0.111 C ATOM 24 C LIG 1 3.067 1.302 -2.039 0.00 0.00 +0.097 C BRANCH 18 25 ATOM 25 O LIG 1 3.133 1.188 1.575 0.00 0.00 -0.361 OA ATOM 26 H LIG 1 3.364 0.254 1.441 0.00 0.00 +0.213 HD ENDBRANCH 18 25 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 8