REMARK Name = LIG001175 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.770 5.853 -0.582 0.00 0.00 +0.052 C ATOM 2 C LIG 1 1.043 4.550 -0.486 0.00 0.00 -0.008 A ATOM 3 C LIG 1 1.494 3.282 -0.828 0.00 0.00 -0.029 A ATOM 4 C LIG 1 2.850 3.018 -1.413 0.00 0.00 +0.045 C ATOM 5 C LIG 1 0.491 2.262 -0.542 0.00 0.00 +0.035 A ATOM 6 C LIG 1 0.686 0.807 -0.621 0.00 0.00 +0.076 C ATOM 7 N LIG 1 -0.164 0.008 -1.162 0.00 0.00 -0.271 NA ATOM 8 C LIG 1 -1.427 0.462 -1.733 0.00 0.00 +0.184 C ATOM 9 C LIG 1 -2.310 1.092 -0.703 0.00 0.00 +0.164 A ATOM 10 N LIG 1 -1.935 2.230 -0.005 0.00 0.00 -0.275 N ATOM 11 C LIG 1 -3.067 2.555 0.734 0.00 0.00 +0.135 A ATOM 12 C LIG 1 -3.184 3.642 1.734 0.00 0.00 +0.088 C ATOM 13 N LIG 1 -4.027 1.689 0.477 0.00 0.00 -0.134 NA ATOM 14 N LIG 1 -3.557 0.781 -0.423 0.00 0.00 -0.132 NA ATOM 15 C LIG 1 -0.694 2.860 -0.149 0.00 0.00 +0.097 A ATOM 16 S LIG 1 -0.564 4.527 0.080 0.00 0.00 -0.075 S ENDROOT BRANCH 6 17 ATOM 17 C LIG 1 1.915 0.211 -0.010 0.00 0.00 +0.001 A ATOM 18 C LIG 1 2.509 0.767 1.132 0.00 0.00 +0.011 A ATOM 19 C LIG 1 3.649 0.178 1.687 0.00 0.00 +0.017 A ATOM 20 C LIG 1 4.194 -0.974 1.115 0.00 0.00 +0.025 A ATOM 21 C LIG 1 3.592 -1.544 -0.009 0.00 0.00 +0.017 A ATOM 22 C LIG 1 2.453 -0.957 -0.566 0.00 0.00 +0.011 A BRANCH 20 23 ATOM 23 C LIG 1 5.358 -1.575 1.687 0.00 0.00 -0.065 C ATOM 24 C LIG 1 6.335 -2.083 2.168 0.00 0.00 -0.082 C BRANCH 24 25 ATOM 25 C LIG 1 7.524 -2.703 2.755 0.00 0.00 +0.168 C BRANCH 25 26 ATOM 26 N LIG 1 7.153 -3.904 3.490 0.00 0.00 -0.320 NA ATOM 27 H LIG 1 6.465 -3.654 4.200 0.00 0.00 +0.119 HD ATOM 28 H LIG 1 6.674 -4.541 2.855 0.00 0.00 +0.119 HD ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 20 23 ENDBRANCH 6 17 BRANCH 8 29 ATOM 29 C LIG 1 -2.095 -0.710 -2.456 0.00 0.00 +0.155 C BRANCH 29 30 ATOM 30 C LIG 1 -2.541 -1.826 -1.537 0.00 0.00 +0.310 C ATOM 31 O LIG 1 -1.805 -2.455 -0.790 0.00 0.00 -0.251 OA BRANCH 30 32 ATOM 32 O LIG 1 -3.871 -2.060 -1.717 0.00 0.00 -0.459 OA BRANCH 32 33 ATOM 33 C LIG 1 -4.569 -3.039 -0.907 0.00 0.00 +0.105 C ATOM 34 C LIG 1 -4.042 -4.454 -1.170 0.00 0.00 +0.055 C ATOM 35 C LIG 1 -4.516 -2.675 0.581 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -6.029 -2.964 -1.379 0.00 0.00 +0.055 C ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 8