REMARK Name = LIG000365 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.849 -0.281 1.763 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -3.109 0.005 1.191 0.00 0.00 +0.001 A ATOM 3 C LIG 1 -3.754 -0.875 0.148 0.00 0.00 +0.143 C ATOM 4 N LIG 1 -4.604 -0.117 -0.794 0.00 0.00 -0.222 NA ATOM 5 N LIG 1 -5.556 0.692 -0.103 0.00 0.00 -0.218 N ATOM 6 C LIG 1 -5.204 1.378 1.071 0.00 0.00 +0.261 C ATOM 7 O LIG 1 -5.963 2.144 1.661 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 -3.788 0.690 -1.714 0.00 0.00 +0.128 C ATOM 9 C LIG 1 -3.842 1.131 1.618 0.00 0.00 +0.044 A ATOM 10 C LIG 1 -3.318 2.009 2.567 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -2.048 1.780 3.077 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -1.323 0.656 2.668 0.00 0.00 +0.023 A ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 -6.981 0.531 -0.423 0.00 0.00 +0.180 C ATOM 14 C LIG 1 -7.466 -0.830 0.092 0.00 0.00 +0.241 C ATOM 15 O LIG 1 -7.298 -1.223 1.247 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -8.078 -1.654 -0.820 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -8.368 -2.547 -0.444 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -7.803 -1.685 -2.160 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -8.019 -2.698 -2.822 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -7.149 -0.465 -2.756 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -7.350 0.767 -1.889 0.00 0.00 +0.043 C ENDBRANCH 5 13 BRANCH 1 22 ATOM 22 N LIG 1 -1.129 -1.403 1.332 0.00 0.00 -0.339 N ATOM 23 H LIG 1 -1.741 -2.200 1.177 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 0.115 -1.826 1.976 0.00 0.00 +0.137 C BRANCH 24 28 ATOM 25 C LIG 1 3.646 0.307 0.630 0.00 0.00 -0.033 A ATOM 26 C LIG 1 2.592 0.052 -0.257 0.00 0.00 +0.005 A ATOM 27 C LIG 1 1.449 -0.627 0.171 0.00 0.00 +0.005 A ATOM 28 C LIG 1 1.325 -1.054 1.500 0.00 0.00 -0.030 A ATOM 29 C LIG 1 2.387 -0.809 2.384 0.00 0.00 +0.005 A ATOM 30 C LIG 1 3.532 -0.130 1.956 0.00 0.00 +0.005 A BRANCH 25 31 ATOM 31 C LIG 1 4.878 1.059 0.167 0.00 0.00 +0.119 C BRANCH 31 36 ATOM 32 C LIG 1 9.202 -0.449 -1.437 0.00 0.00 +0.105 C ATOM 33 N LIG 1 8.493 0.153 -0.307 0.00 0.00 -0.303 NA ATOM 34 C LIG 1 7.876 1.439 -0.686 0.00 0.00 +0.099 C ATOM 35 C LIG 1 6.588 1.323 -1.538 0.00 0.00 +0.100 C ATOM 36 N LIG 1 5.552 0.428 -0.982 0.00 0.00 -0.296 NA ATOM 37 C LIG 1 6.176 -0.866 -0.630 0.00 0.00 +0.100 C ATOM 38 C LIG 1 7.462 -0.760 0.226 0.00 0.00 +0.099 C ENDBRANCH 31 36 ENDBRANCH 25 31 ENDBRANCH 24 28 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 6