REMARK Name = LIG001443 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.951 -2.981 -3.658 0.00 0.00 +0.052 C ATOM 2 C LIG 1 1.302 -2.393 -2.446 0.00 0.00 -0.008 A ATOM 3 C LIG 1 1.588 -1.194 -1.809 0.00 0.00 -0.029 A ATOM 4 C LIG 1 2.630 -0.231 -2.298 0.00 0.00 +0.045 C ATOM 5 C LIG 1 0.752 -1.001 -0.627 0.00 0.00 +0.035 A ATOM 6 C LIG 1 0.893 0.079 0.360 0.00 0.00 +0.076 C ATOM 7 N LIG 1 -0.092 0.740 0.853 0.00 0.00 -0.271 NA ATOM 8 C LIG 1 -1.502 0.489 0.551 0.00 0.00 +0.184 C ATOM 9 C LIG 1 -1.906 -0.916 0.853 0.00 0.00 +0.164 A ATOM 10 N LIG 1 -1.311 -2.038 0.298 0.00 0.00 -0.275 N ATOM 11 C LIG 1 -2.098 -3.089 0.760 0.00 0.00 +0.135 A ATOM 12 C LIG 1 -1.876 -4.535 0.519 0.00 0.00 +0.088 C ATOM 13 N LIG 1 -3.054 -2.620 1.536 0.00 0.00 -0.134 NA ATOM 14 N LIG 1 -2.933 -1.266 1.596 0.00 0.00 -0.132 NA ATOM 15 C LIG 1 -0.205 -1.999 -0.558 0.00 0.00 +0.097 A ATOM 16 S LIG 1 0.012 -3.219 -1.704 0.00 0.00 -0.075 S ENDROOT BRANCH 6 17 ATOM 17 C LIG 1 2.266 0.418 0.848 0.00 0.00 +0.001 A ATOM 18 C LIG 1 2.575 1.753 1.139 0.00 0.00 +0.011 A ATOM 19 C LIG 1 3.847 2.091 1.609 0.00 0.00 +0.017 A ATOM 20 C LIG 1 4.809 1.098 1.803 0.00 0.00 +0.025 A ATOM 21 C LIG 1 4.498 -0.237 1.533 0.00 0.00 +0.017 A ATOM 22 C LIG 1 3.227 -0.580 1.062 0.00 0.00 +0.011 A BRANCH 20 23 ATOM 23 C LIG 1 6.109 1.447 2.285 0.00 0.00 -0.064 C ATOM 24 C LIG 1 7.199 1.747 2.691 0.00 0.00 -0.069 C BRANCH 24 25 ATOM 25 C LIG 1 8.525 2.117 3.186 0.00 0.00 +0.244 C BRANCH 25 26 ATOM 26 O LIG 1 9.259 2.772 2.162 0.00 0.00 -0.383 OA ATOM 27 H LIG 1 9.211 2.202 1.376 0.00 0.00 +0.211 HD ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 20 23 ENDBRANCH 6 17 BRANCH 8 28 ATOM 28 C LIG 1 -1.873 0.980 -0.844 0.00 0.00 +0.155 C BRANCH 28 29 ATOM 29 C LIG 1 -3.346 0.824 -1.112 0.00 0.00 +0.310 C ATOM 30 O LIG 1 -3.790 0.082 -1.977 0.00 0.00 -0.251 OA BRANCH 29 31 ATOM 31 O LIG 1 -4.067 1.629 -0.292 0.00 0.00 -0.459 OA BRANCH 31 32 ATOM 32 C LIG 1 -5.517 1.602 -0.315 0.00 0.00 +0.105 C ATOM 33 C LIG 1 -6.061 2.069 -1.669 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -5.943 2.613 0.761 0.00 0.00 +0.055 C ATOM 35 C LIG 1 -6.054 0.220 0.072 0.00 0.00 +0.055 C ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 8