REMARK Name = LIG001970 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.438 3.659 0.019 0.00 0.00 -0.312 N ATOM 2 C LIG 1 -2.290 2.306 0.167 0.00 0.00 +0.167 A ATOM 3 C LIG 1 -0.946 2.068 -0.054 0.00 0.00 +0.148 A ATOM 4 C LIG 1 -0.518 0.734 0.043 0.00 0.00 +0.152 A ATOM 5 N LIG 1 -1.452 -0.205 0.354 0.00 0.00 -0.197 NA ATOM 6 C LIG 1 -2.737 0.154 0.545 0.00 0.00 +0.219 A ATOM 7 N LIG 1 -0.275 3.244 -0.323 0.00 0.00 -0.231 NA ATOM 8 N LIG 1 -3.233 1.401 0.463 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 -1.202 4.176 -0.274 0.00 0.00 +0.201 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -4.073 5.089 -1.152 0.00 0.00 +0.030 C ATOM 11 C LIG 1 -3.682 4.402 0.156 0.00 0.00 +0.084 C ATOM 12 C LIG 1 -3.616 5.401 1.311 0.00 0.00 +0.030 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 -3.584 -0.904 0.859 0.00 0.00 -0.313 N ATOM 14 H LIG 1 -3.071 -1.737 0.581 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 C LIG 1 -4.914 -0.799 0.272 0.00 0.00 +0.109 C BRANCH 15 16 ATOM 16 C LIG 1 -5.743 -2.054 0.581 0.00 0.00 +0.057 C BRANCH 16 17 ATOM 17 C LIG 1 -5.256 -3.275 -0.126 0.00 0.00 -0.009 A ATOM 18 C LIG 1 -4.483 -4.302 0.374 0.00 0.00 +0.108 A ATOM 19 N LIG 1 -4.302 -5.184 -0.651 0.00 0.00 -0.284 N ATOM 20 H LIG 1 -3.782 -6.055 -0.646 0.00 0.00 +0.188 HD ATOM 21 N LIG 1 -4.908 -4.808 -1.788 0.00 0.00 -0.182 NA ATOM 22 C LIG 1 -5.489 -3.650 -1.470 0.00 0.00 +0.137 A ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 23 ATOM 23 N LIG 1 0.816 0.375 -0.179 0.00 0.00 -0.323 N ATOM 24 H LIG 1 1.409 1.202 -0.127 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 1.274 -0.748 0.616 0.00 0.00 +0.138 C BRANCH 25 26 ATOM 26 C LIG 1 2.756 -0.941 0.394 0.00 0.00 -0.030 A ATOM 27 C LIG 1 3.679 -0.660 1.405 0.00 0.00 +0.006 A ATOM 28 C LIG 1 5.050 -0.840 1.185 0.00 0.00 +0.010 A ATOM 29 C LIG 1 5.547 -1.296 -0.050 0.00 0.00 +0.000 A ATOM 30 C LIG 1 4.605 -1.577 -1.056 0.00 0.00 +0.010 A ATOM 31 C LIG 1 3.233 -1.399 -0.841 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 7.000 -1.469 -0.260 0.00 0.00 +0.071 A ATOM 33 N LIG 1 7.720 -1.810 0.842 0.00 0.00 -0.255 NA ATOM 34 C LIG 1 9.052 -1.984 0.702 0.00 0.00 +0.111 A ATOM 35 C LIG 1 9.728 -1.829 -0.494 0.00 0.00 +0.020 A ATOM 36 C LIG 1 8.993 -1.470 -1.615 0.00 0.00 +0.004 A ATOM 37 C LIG 1 7.616 -1.287 -1.499 0.00 0.00 +0.028 A ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 4 23 TORSDOF 9