REMARK Name = BDB007887 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.836 2.124 -0.548 0.00 0.00 -0.266 N ATOM 2 N LIG 1 1.018 1.646 -1.506 0.00 0.00 -0.175 NA ATOM 3 C LIG 1 0.066 0.990 -0.827 0.00 0.00 +0.072 A ATOM 4 C LIG 1 -0.975 0.251 -1.589 0.00 0.00 +0.068 C ATOM 5 C LIG 1 0.241 1.106 0.584 0.00 0.00 +0.077 A ATOM 6 C LIG 1 1.410 1.833 0.712 0.00 0.00 +0.122 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -0.530 0.594 1.707 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -1.850 0.327 1.438 0.00 0.00 -0.307 N ATOM 9 H LIG 1 -2.264 0.721 0.608 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 -0.043 0.453 2.825 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 -2.749 -0.077 2.493 0.00 0.00 +0.140 C BRANCH 11 12 ATOM 12 C LIG 1 -4.091 -0.474 1.916 0.00 0.00 -0.024 A ATOM 13 C LIG 1 -4.307 -1.796 1.454 0.00 0.00 -0.045 A ATOM 14 C LIG 1 -3.239 -2.855 1.550 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -5.550 -2.148 0.902 0.00 0.00 +0.008 A ATOM 16 C LIG 1 -6.582 -1.212 0.783 0.00 0.00 -0.033 A ATOM 17 C LIG 1 -6.355 0.099 1.216 0.00 0.00 +0.008 A ATOM 18 C LIG 1 -5.124 0.484 1.772 0.00 0.00 -0.045 A ATOM 19 C LIG 1 -4.956 1.914 2.213 0.00 0.00 +0.044 C BRANCH 16 20 ATOM 20 C LIG 1 -7.913 -1.599 0.191 0.00 0.00 +0.113 C BRANCH 20 21 ATOM 21 N LIG 1 -8.122 -0.962 -1.104 0.00 0.00 -0.326 NA ATOM 22 H LIG 1 -8.974 -1.331 -1.523 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 -7.358 -1.226 -1.725 0.00 0.00 +0.119 HD ENDBRANCH 20 21 ENDBRANCH 16 20 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 5 7 BRANCH 1 24 ATOM 24 C LIG 1 3.012 2.903 -0.912 0.00 0.00 +0.178 C BRANCH 24 31 ATOM 25 C LIG 1 9.237 -1.983 -1.606 0.00 0.00 +0.065 C ATOM 26 C LIG 1 7.962 -1.199 -1.700 0.00 0.00 +0.039 A ATOM 27 N LIG 1 7.767 -0.223 -0.780 0.00 0.00 -0.252 NA ATOM 28 C LIG 1 6.632 0.497 -0.836 0.00 0.00 +0.071 A ATOM 29 C LIG 1 5.645 0.276 -1.816 0.00 0.00 +0.001 A ATOM 30 C LIG 1 4.475 1.058 -1.835 0.00 0.00 +0.015 A ATOM 31 C LIG 1 4.267 2.067 -0.883 0.00 0.00 -0.025 A ATOM 32 C LIG 1 5.249 2.278 0.088 0.00 0.00 +0.007 A ATOM 33 C LIG 1 5.869 -0.737 -2.754 0.00 0.00 +0.012 A ATOM 34 C LIG 1 6.411 1.498 0.100 0.00 0.00 +0.028 A ATOM 35 C LIG 1 7.040 -1.484 -2.697 0.00 0.00 +0.023 A ENDBRANCH 24 31 ENDBRANCH 1 24 TORSDOF 7