REMARK Name = BDB056930 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.965 -2.662 1.498 0.00 0.00 +0.217 A ATOM 2 N LIG 1 -2.311 -1.385 1.713 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -1.295 -0.525 1.532 0.00 0.00 +0.164 A ATOM 4 C LIG 1 0.005 -0.839 1.188 0.00 0.00 +0.065 A ATOM 5 C LIG 1 0.696 0.406 1.141 0.00 0.00 +0.105 A ATOM 6 N LIG 1 -0.137 1.427 1.416 0.00 0.00 -0.168 NA ATOM 7 C LIG 1 0.262 -2.187 0.981 0.00 0.00 +0.128 A ATOM 8 N LIG 1 -1.338 0.839 1.624 0.00 0.00 -0.240 N ATOM 9 N LIG 1 -0.736 -3.087 1.147 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.100 0.659 0.837 0.00 0.00 +0.021 A ATOM 11 C LIG 1 3.111 -0.199 1.241 0.00 0.00 +0.123 A ATOM 12 N LIG 1 4.429 -0.021 0.968 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 4.803 1.065 0.257 0.00 0.00 +0.121 A ATOM 14 C LIG 1 3.848 2.000 -0.147 0.00 0.00 +0.044 A ATOM 15 C LIG 1 2.495 1.796 0.138 0.00 0.00 +0.015 A BRANCH 13 16 ATOM 16 N LIG 1 6.160 1.281 -0.029 0.00 0.00 -0.313 N ATOM 17 C LIG 1 6.476 1.454 -1.462 0.00 0.00 +0.122 C ATOM 18 C LIG 1 6.621 0.092 -2.187 0.00 0.00 +0.103 C ATOM 19 N LIG 1 7.569 -0.860 -1.565 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 8.958 -0.453 -1.769 0.00 0.00 +0.105 C ATOM 21 C LIG 1 7.244 -0.989 -0.123 0.00 0.00 +0.103 C ATOM 22 C LIG 1 7.090 0.349 0.645 0.00 0.00 +0.122 C ENDBRANCH 13 16 ENDBRANCH 5 10 BRANCH 1 24 ATOM 23 C LIG 1 -2.575 -4.877 2.141 0.00 0.00 +0.128 C ATOM 24 N LIG 1 -2.995 -3.580 1.657 0.00 0.00 -0.316 N ATOM 25 H LIG 1 -3.704 -3.119 2.216 0.00 0.00 +0.149 HD ENDBRANCH 1 24 BRANCH 8 26 ATOM 26 C LIG 1 -2.506 1.638 1.958 0.00 0.00 +0.204 C BRANCH 26 27 ATOM 27 C LIG 1 -3.345 1.887 0.761 0.00 0.00 +0.104 A ATOM 28 N LIG 1 -3.504 3.155 0.260 0.00 0.00 -0.133 NA ATOM 29 N LIG 1 -4.311 3.092 -0.790 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 -4.672 1.805 -0.947 0.00 0.00 -0.247 N ATOM 31 C LIG 1 -4.093 1.013 -0.001 0.00 0.00 +0.135 A BRANCH 30 32 ATOM 32 C LIG 1 -5.526 1.405 -2.049 0.00 0.00 +0.180 C BRANCH 32 33 ATOM 33 C LIG 1 -6.898 1.000 -1.571 0.00 0.00 -0.026 A ATOM 34 C LIG 1 -7.289 -0.348 -1.577 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -8.558 -0.718 -1.129 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -9.448 0.252 -0.671 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -9.070 1.593 -0.658 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.802 1.967 -1.105 0.00 0.00 +0.005 A ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 7