REMARK Name = LIG001322 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.003 -0.366 -1.425 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.805 -0.238 -0.277 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -3.184 -0.238 -0.420 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -4.251 -0.109 0.615 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -5.473 -0.253 -0.167 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -5.215 -0.316 -1.530 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -6.019 -0.338 -2.441 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.757 -0.355 -1.683 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -3.003 -0.473 -2.831 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -1.610 -0.479 -2.692 0.00 0.00 +0.024 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -6.802 0.041 0.353 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.992 1.536 0.665 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -6.205 2.421 0.339 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -8.130 1.845 1.375 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -8.235 2.828 1.592 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.776 1.002 2.243 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -9.498 1.441 3.133 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -8.562 -0.478 2.031 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -7.131 -0.770 1.603 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 21 ATOM 20 C LIG 1 1.378 -0.563 -2.179 0.00 0.00 +0.248 C ATOM 21 N LIG 1 0.394 -0.354 -1.228 0.00 0.00 -0.281 N ATOM 22 H LIG 1 0.703 -0.251 -0.271 0.00 0.00 +0.155 HD ATOM 23 O LIG 1 1.215 -0.878 -3.351 0.00 0.00 -0.270 OA BRANCH 20 29 ATOM 24 C LIG 1 7.106 0.847 0.641 0.00 0.00 +0.121 A ATOM 25 C LIG 1 6.750 -0.129 -0.291 0.00 0.00 +0.054 A ATOM 26 C LIG 1 5.427 -0.232 -0.760 0.00 0.00 -0.014 A ATOM 27 C LIG 1 4.443 0.662 -0.276 0.00 0.00 -0.017 A ATOM 28 C LIG 1 3.122 0.559 -0.742 0.00 0.00 +0.021 A ATOM 29 C LIG 1 2.772 -0.428 -1.672 0.00 0.00 +0.038 A ATOM 30 C LIG 1 3.748 -1.298 -2.165 0.00 0.00 +0.013 A ATOM 31 C LIG 1 4.811 1.637 0.660 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.064 -1.204 -1.706 0.00 0.00 +0.009 A ATOM 33 C LIG 1 6.129 1.723 1.115 0.00 0.00 +0.046 A BRANCH 24 34 ATOM 34 O LIG 1 8.347 1.046 1.176 0.00 0.00 -0.492 OA BRANCH 34 36 ATOM 35 C LIG 1 9.651 -0.988 1.376 0.00 0.00 +0.048 C ATOM 36 C LIG 1 9.455 0.326 0.639 0.00 0.00 +0.225 C ENDBRANCH 34 36 ENDBRANCH 24 34 ENDBRANCH 20 29 ENDBRANCH 1 21 TORSDOF 5