REMARK Name = BDB031931 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.633 2.535 0.585 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.982 2.467 1.832 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.711 1.884 1.894 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.049 1.379 0.784 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.198 0.882 1.283 0.00 0.00 +0.152 A ATOM 6 N LIG 1 1.295 1.077 2.602 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 -0.685 1.460 -0.469 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.143 1.673 2.939 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.002 1.915 3.912 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.960 2.042 -0.546 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.833 -1.484 -0.349 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.592 -0.218 0.205 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.232 0.893 -0.324 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.215 2.357 0.016 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.004 3.157 0.451 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.202 2.968 -0.952 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -6.678 1.943 -1.750 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.360 2.091 -2.477 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.504 4.149 -1.001 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.109 2.834 1.436 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.122 0.713 -1.392 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.386 -0.514 -1.961 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.726 -1.626 -1.428 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.316 -3.807 -0.280 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.141 -2.501 0.252 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 2.119 0.322 0.462 0.00 0.00 -0.295 N ATOM 27 H LIG 1 1.899 0.265 -0.528 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 3.350 -0.330 0.716 0.00 0.00 +0.075 A ATOM 29 C LIG 1 4.180 -0.643 -0.388 0.00 0.00 +0.147 A ATOM 30 C LIG 1 5.368 -1.323 -0.191 0.00 0.00 +0.025 A ATOM 31 C LIG 1 6.365 -1.826 -1.175 0.00 0.00 +0.147 C ATOM 32 N LIG 1 7.372 -2.428 -0.318 0.00 0.00 -0.296 N ATOM 33 C LIG 1 7.054 -2.346 1.025 0.00 0.00 +0.247 C ATOM 34 O LIG 1 7.680 -2.763 1.980 0.00 0.00 -0.270 OA ATOM 35 C LIG 1 8.546 -3.073 -0.849 0.00 0.00 +0.132 C ATOM 36 C LIG 1 5.770 -1.639 1.103 0.00 0.00 +0.045 A ATOM 37 C LIG 1 5.025 -1.308 2.218 0.00 0.00 +0.015 A ATOM 38 C LIG 1 3.807 -0.648 2.012 0.00 0.00 +0.028 A BRANCH 29 39 ATOM 39 O LIG 1 3.779 -0.329 -1.662 0.00 0.00 -0.493 OA ATOM 40 C LIG 1 4.253 0.975 -2.011 0.00 0.00 +0.277 C ENDBRANCH 29 39 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5