REMARK Name = LIG000751 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.974 0.388 0.492 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.461 1.508 -0.063 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.546 2.157 -0.795 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.229 1.787 -1.003 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.579 2.712 -1.794 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.494 3.614 -2.079 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.805 0.597 -0.388 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.701 3.323 -1.496 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.715 -0.075 0.368 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.909 4.125 -1.622 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.363 4.698 -0.279 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -5.037 3.365 -2.320 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.889 -0.312 1.271 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -4.796 0.068 1.015 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -3.809 -1.780 1.183 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -4.551 -3.757 -0.266 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -4.641 -2.257 -0.024 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -4.316 -2.353 2.525 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -5.638 -1.897 2.814 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -5.554 -0.930 2.903 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 0.495 0.103 -0.544 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.117 0.849 -0.871 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.001 -0.627 0.601 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 2.420 -1.065 0.348 0.00 0.00 -0.004 A ATOM 25 C LIG 1 3.536 -0.215 0.426 0.00 0.00 +0.016 A ATOM 26 C LIG 1 4.807 -0.772 0.178 0.00 0.00 +0.038 A ATOM 27 C LIG 1 4.950 -2.123 -0.147 0.00 0.00 +0.090 A ATOM 28 N LIG 1 3.868 -2.936 -0.239 0.00 0.00 -0.253 NA ATOM 29 C LIG 1 2.651 -2.394 -0.002 0.00 0.00 +0.117 A BRANCH 27 30 ATOM 30 C LIG 1 6.275 -2.736 -0.413 0.00 0.00 +0.089 A ATOM 31 N LIG 1 7.364 -1.923 -0.295 0.00 0.00 -0.253 NA ATOM 32 C LIG 1 8.583 -2.458 -0.532 0.00 0.00 +0.111 A ATOM 33 C LIG 1 8.791 -3.779 -0.885 0.00 0.00 +0.020 A ATOM 34 C LIG 1 7.683 -4.604 -1.004 0.00 0.00 +0.004 A ATOM 35 C LIG 1 6.414 -4.080 -0.766 0.00 0.00 +0.030 A ENDBRANCH 27 30 BRANCH 25 36 ATOM 36 C LIG 1 3.463 1.260 0.741 0.00 0.00 +0.282 C ATOM 37 O LIG 1 2.667 1.963 -0.220 0.00 0.00 -0.345 OA ATOM 38 C LIG 1 2.247 3.118 0.503 0.00 0.00 +0.191 C ATOM 39 C LIG 1 2.015 2.588 1.894 0.00 0.00 +0.191 C ATOM 40 O LIG 1 2.951 1.516 2.054 0.00 0.00 -0.345 OA ENDBRANCH 25 36 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 11