REMARK Name = LIG001098 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.374 0.484 0.290 0.00 0.00 +0.076 C ATOM 2 C LIG 1 -0.001 -0.732 -0.444 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -0.993 -1.609 -0.040 0.00 0.00 +0.097 A ATOM 4 S LIG 1 -1.058 -3.022 -0.962 0.00 0.00 -0.075 S ATOM 5 C LIG 1 0.139 -2.463 -2.035 0.00 0.00 -0.008 A ATOM 6 C LIG 1 0.534 -3.312 -3.202 0.00 0.00 +0.052 C ATOM 7 N LIG 1 -1.935 -1.394 0.970 0.00 0.00 -0.275 N ATOM 8 C LIG 1 -2.358 -0.142 1.387 0.00 0.00 +0.164 A ATOM 9 N LIG 1 -3.267 -0.260 2.330 0.00 0.00 -0.132 NA ATOM 10 N LIG 1 -3.484 -1.587 2.543 0.00 0.00 -0.134 NA ATOM 11 C LIG 1 -1.926 1.143 0.758 0.00 0.00 +0.184 C ATOM 12 C LIG 1 -2.696 -2.271 1.738 0.00 0.00 +0.135 A ATOM 13 C LIG 1 -2.603 -3.750 1.748 0.00 0.00 +0.088 C ATOM 14 C LIG 1 0.607 -1.205 -1.685 0.00 0.00 -0.029 A ATOM 15 C LIG 1 1.612 -0.444 -2.500 0.00 0.00 +0.045 C ATOM 16 N LIG 1 -0.472 1.309 0.795 0.00 0.00 -0.271 NA ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 4.549 1.372 0.895 0.00 0.00 -0.025 A ATOM 18 C LIG 1 4.100 0.045 0.924 0.00 0.00 +0.008 A ATOM 19 C LIG 1 2.748 -0.255 0.725 0.00 0.00 +0.010 A ATOM 20 C LIG 1 1.827 0.773 0.491 0.00 0.00 +0.001 A ATOM 21 C LIG 1 2.264 2.103 0.498 0.00 0.00 +0.010 A ATOM 22 C LIG 1 3.616 2.398 0.698 0.00 0.00 +0.008 A BRANCH 17 24 ATOM 23 C LIG 1 6.993 1.013 0.671 0.00 0.00 +0.092 C ATOM 24 C LIG 1 5.955 1.730 1.129 0.00 0.00 +0.015 C BRANCH 23 25 ATOM 25 C LIG 1 8.412 1.363 0.887 0.00 0.00 +0.332 C ATOM 26 O LIG 1 9.320 0.674 0.447 0.00 0.00 -0.246 OA BRANCH 25 28 ATOM 27 C LIG 1 9.907 2.876 1.844 0.00 0.00 +0.280 C ATOM 28 O LIG 1 8.550 2.501 1.608 0.00 0.00 -0.465 OA ENDBRANCH 25 28 ENDBRANCH 23 25 ENDBRANCH 17 24 ENDBRANCH 1 20 BRANCH 11 29 ATOM 29 C LIG 1 -2.482 1.393 -0.639 0.00 0.00 +0.155 C BRANCH 29 30 ATOM 30 C LIG 1 -3.981 1.512 -0.597 0.00 0.00 +0.310 C ATOM 31 O LIG 1 -4.574 2.567 -0.422 0.00 0.00 -0.251 OA BRANCH 30 32 ATOM 32 O LIG 1 -4.544 0.290 -0.783 0.00 0.00 -0.459 OA BRANCH 32 33 ATOM 33 C LIG 1 -5.982 0.112 -0.717 0.00 0.00 +0.105 C ATOM 34 C LIG 1 -6.682 0.871 -1.848 0.00 0.00 +0.055 C ATOM 35 C LIG 1 -6.195 -1.395 -0.925 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -6.535 0.499 0.659 0.00 0.00 +0.055 C ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 11 29 TORSDOF 8