REMARK Name = LIG001538 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.063 0.347 0.219 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -4.569 1.484 -0.285 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -3.620 2.298 -0.768 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -2.257 2.066 -0.791 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -1.584 3.130 -1.353 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -2.527 3.990 -1.674 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -1.818 0.847 -0.250 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -3.777 3.532 -1.340 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -2.760 0.007 0.255 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -5.022 4.253 -1.562 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -5.952 3.514 -2.525 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -5.728 4.600 -0.252 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -5.015 -0.523 0.745 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -5.894 -0.211 0.340 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.721 -1.956 0.568 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -5.926 -4.176 0.112 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -6.070 -2.688 0.394 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -3.941 -2.461 1.803 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -4.673 -2.184 3.000 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -4.940 -1.247 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 -0.463 0.497 -0.236 0.00 0.00 -0.323 N ATOM 22 H LIG 1 0.109 1.324 -0.398 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -0.061 -0.301 0.906 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 1.441 -0.464 0.894 0.00 0.00 -0.030 A ATOM 25 C LIG 1 2.243 0.192 1.835 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.634 0.041 1.811 0.00 0.00 +0.009 A ATOM 27 C LIG 1 4.261 -0.762 0.845 0.00 0.00 -0.018 A ATOM 28 C LIG 1 3.449 -1.409 -0.100 0.00 0.00 +0.009 A ATOM 29 C LIG 1 2.059 -1.262 -0.078 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 5.724 -0.916 0.820 0.00 0.00 -0.017 A ATOM 31 C LIG 1 6.462 -0.630 -0.341 0.00 0.00 +0.017 A ATOM 32 C LIG 1 7.861 -0.772 -0.382 0.00 0.00 -0.017 A ATOM 33 C LIG 1 8.545 -1.215 0.771 0.00 0.00 -0.018 A ATOM 34 C LIG 1 9.942 -1.358 0.731 0.00 0.00 +0.008 A ATOM 35 C LIG 1 10.655 -1.067 -0.433 0.00 0.00 +0.001 A ATOM 36 C LIG 1 9.982 -0.630 -1.570 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.813 -1.501 1.932 0.00 0.00 +0.009 A ATOM 38 C LIG 1 8.594 -0.483 -1.545 0.00 0.00 +0.008 A ATOM 39 C LIG 1 6.423 -1.353 1.954 0.00 0.00 +0.009 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10