REMARK Name = LIG000223 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.141 -0.754 -0.322 0.00 0.00 +0.030 A ATOM 2 C LIG 1 3.183 -0.254 0.483 0.00 0.00 +0.037 A ATOM 3 C LIG 1 4.489 -0.450 0.076 0.00 0.00 +0.051 A ATOM 4 C LIG 1 5.746 -0.038 0.696 0.00 0.00 +0.255 C ATOM 5 N LIG 1 6.752 -0.518 -0.099 0.00 0.00 -0.222 N ATOM 6 C LIG 1 6.254 -1.139 -1.213 0.00 0.00 +0.254 C ATOM 7 O LIG 1 6.857 -1.632 -2.147 0.00 0.00 -0.270 OA ATOM 8 O LIG 1 5.823 0.626 1.712 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 4.799 -1.119 -1.089 0.00 0.00 +0.050 A ATOM 10 C LIG 1 3.820 -1.633 -1.909 0.00 0.00 +0.015 A ATOM 11 C LIG 1 2.487 -1.448 -1.512 0.00 0.00 +0.024 A ENDROOT BRANCH 1 19 ATOM 12 C LIG 1 -6.204 0.830 -0.602 0.00 0.00 +0.403 C ATOM 13 N LIG 1 -4.901 0.682 -0.158 0.00 0.00 -0.267 N ATOM 14 C LIG 1 -3.826 1.403 -0.825 0.00 0.00 +0.111 C ATOM 15 C LIG 1 -2.572 0.537 -0.923 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.040 0.085 0.469 0.00 0.00 -0.024 C ATOM 17 C LIG 1 -0.887 1.003 0.954 0.00 0.00 +0.026 C ATOM 18 C LIG 1 0.413 0.851 0.155 0.00 0.00 +0.105 C ATOM 19 N LIG 1 0.811 -0.567 0.098 0.00 0.00 -0.330 N ATOM 20 C LIG 1 -0.214 -1.455 -0.465 0.00 0.00 +0.105 C ATOM 21 C LIG 1 -1.486 -1.361 0.380 0.00 0.00 +0.026 C ATOM 22 C LIG 1 -3.178 0.140 1.527 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -4.545 -0.205 0.944 0.00 0.00 +0.111 C ATOM 24 O LIG 1 -6.530 1.586 -1.507 0.00 0.00 -0.226 OA BRANCH 12 25 ATOM 25 O LIG 1 -7.065 0.031 0.082 0.00 0.00 -0.445 OA BRANCH 25 27 ATOM 26 C LIG 1 -9.117 1.395 0.044 0.00 0.00 +0.055 C ATOM 27 C LIG 1 -8.483 0.025 -0.222 0.00 0.00 +0.107 C ATOM 28 C LIG 1 -9.085 -0.991 0.760 0.00 0.00 +0.055 C ATOM 29 C LIG 1 -8.746 -0.463 -1.651 0.00 0.00 +0.055 C ENDBRANCH 25 27 ENDBRANCH 12 25 ENDBRANCH 1 19 BRANCH 5 30 ATOM 30 C LIG 1 8.164 -0.216 0.068 0.00 0.00 +0.171 C ATOM 31 C LIG 1 8.424 1.236 -0.349 0.00 0.00 +0.240 C ATOM 32 O LIG 1 7.696 1.872 -1.109 0.00 0.00 -0.273 OA ATOM 33 N LIG 1 9.588 1.794 0.131 0.00 0.00 -0.255 N ATOM 34 H LIG 1 9.769 2.748 -0.152 0.00 0.00 +0.158 HD ATOM 35 C LIG 1 10.457 1.268 1.055 0.00 0.00 +0.219 C ATOM 36 O LIG 1 11.431 1.906 1.443 0.00 0.00 -0.275 OA ATOM 37 C LIG 1 10.184 -0.147 1.512 0.00 0.00 +0.098 C ATOM 38 C LIG 1 8.697 -0.462 1.477 0.00 0.00 +0.041 C ENDBRANCH 5 30 TORSDOF 4