REMARK Name = BDB055071 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.165 -2.042 0.828 0.00 0.00 +0.048 A ATOM 2 C LIG 1 -1.871 -3.405 1.032 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -2.600 -4.570 1.361 0.00 0.00 +0.143 A ATOM 4 N LIG 1 -1.835 -5.661 1.419 0.00 0.00 -0.178 NA ATOM 5 N LIG 1 -0.599 -5.204 1.134 0.00 0.00 -0.261 N ATOM 6 C LIG 1 -0.556 -3.848 0.892 0.00 0.00 +0.070 A ATOM 7 C LIG 1 0.496 -2.974 0.565 0.00 0.00 +0.036 A ATOM 8 C LIG 1 0.213 -1.607 0.380 0.00 0.00 -0.014 A ATOM 9 C LIG 1 -1.111 -1.160 0.518 0.00 0.00 +0.022 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 1.290 -0.663 0.050 0.00 0.00 +0.000 A ATOM 11 C LIG 1 2.437 -0.546 0.827 0.00 0.00 +0.121 A ATOM 12 N LIG 1 3.466 0.301 0.574 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 3.400 1.096 -0.515 0.00 0.00 +0.121 A ATOM 14 C LIG 1 2.274 1.058 -1.338 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.224 0.178 -1.060 0.00 0.00 +0.013 A BRANCH 13 16 ATOM 16 N LIG 1 4.443 1.980 -0.769 0.00 0.00 -0.313 N ATOM 17 C LIG 1 5.503 2.037 0.251 0.00 0.00 +0.122 C ATOM 18 C LIG 1 6.493 3.171 -0.097 0.00 0.00 +0.103 C ATOM 19 N LIG 1 7.187 2.997 -1.395 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 7.480 4.293 -2.000 0.00 0.00 +0.105 C ATOM 21 C LIG 1 6.419 2.123 -2.304 0.00 0.00 +0.103 C ATOM 22 C LIG 1 4.878 2.181 -2.162 0.00 0.00 +0.122 C ENDBRANCH 13 16 ENDBRANCH 8 10 BRANCH 1 25 ATOM 23 N LIG 1 -3.897 -0.454 0.216 0.00 0.00 -0.307 N ATOM 24 H LIG 1 -3.298 -0.186 -0.556 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 -3.565 -1.560 0.966 0.00 0.00 +0.245 C ATOM 26 O LIG 1 -4.358 -2.145 1.692 0.00 0.00 -0.270 OA BRANCH 23 27 ATOM 27 C LIG 1 -5.260 0.026 0.131 0.00 0.00 +0.145 C BRANCH 27 34 ATOM 28 C LIG 1 -5.244 5.806 -0.506 0.00 0.00 +0.063 C ATOM 29 C LIG 1 -5.260 4.332 -0.241 0.00 0.00 +0.016 A ATOM 30 N LIG 1 -4.853 3.508 -1.260 0.00 0.00 -0.326 N ATOM 31 H LIG 1 -4.544 3.902 -2.140 0.00 0.00 +0.169 HD ATOM 32 C LIG 1 -4.790 2.141 -1.173 0.00 0.00 +0.254 A ATOM 33 O LIG 1 -4.356 1.460 -2.100 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 -5.248 1.525 0.115 0.00 0.00 +0.037 A ATOM 35 C LIG 1 -5.638 2.344 1.118 0.00 0.00 -0.039 A ATOM 36 C LIG 1 -6.085 1.893 2.481 0.00 0.00 +0.044 C ATOM 37 C LIG 1 -5.638 3.788 0.925 0.00 0.00 +0.024 A ENDBRANCH 27 34 ENDBRANCH 23 27 ENDBRANCH 1 25 BRANCH 5 38 ATOM 38 C LIG 1 0.520 -6.143 1.114 0.00 0.00 +0.102 C ATOM 39 C LIG 1 0.770 -6.740 2.498 0.00 0.00 +0.032 C ATOM 40 C LIG 1 0.316 -7.236 0.063 0.00 0.00 +0.032 C ENDBRANCH 5 38 TORSDOF 6