REMARK Name = LIG000187 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.919 -0.975 0.165 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.687 0.029 0.623 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.987 1.153 0.831 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.637 1.347 0.608 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -1.261 2.631 0.946 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -2.371 3.207 1.359 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.916 0.249 0.111 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -3.442 2.352 1.310 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.599 -0.909 -0.095 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.812 2.654 1.697 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.913 3.013 3.180 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -5.417 3.748 0.817 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.490 -2.209 -0.102 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -2.830 -2.714 -0.686 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.883 -2.220 -0.546 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -6.859 -3.849 -0.775 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -5.378 -3.680 -0.470 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -5.028 -1.629 -1.968 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -6.342 -1.117 -2.187 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -6.445 -0.351 -1.594 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 0.450 0.338 -0.174 0.00 0.00 -0.323 N ATOM 22 H LIG 1 0.847 1.164 0.270 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.192 -0.887 0.043 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.669 -0.608 -0.112 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.218 -0.383 -1.379 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.583 -0.113 -1.525 0.00 0.00 +0.010 A ATOM 27 C LIG 1 5.447 -0.058 -0.416 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.875 -0.265 0.852 0.00 0.00 +0.010 A ATOM 29 C LIG 1 3.509 -0.535 1.004 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 6.888 0.221 -0.595 0.00 0.00 +0.071 A ATOM 31 N LIG 1 7.209 1.019 -1.646 0.00 0.00 -0.255 NA ATOM 32 C LIG 1 8.514 1.300 -1.852 0.00 0.00 +0.111 A ATOM 33 C LIG 1 9.542 0.821 -1.060 0.00 0.00 +0.023 A ATOM 34 C LIG 1 9.219 0.005 0.021 0.00 0.00 -0.047 A ATOM 35 C LIG 1 10.292 -0.580 0.888 0.00 0.00 +0.044 C ATOM 36 C LIG 1 7.873 -0.307 0.244 0.00 0.00 +0.031 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10