REMARK Name = BDB062831 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.220 1.681 2.815 0.00 0.00 +0.064 C ATOM 2 C LIG 1 -1.292 1.389 1.682 0.00 0.00 +0.020 A ATOM 3 N LIG 1 -0.382 2.300 1.189 0.00 0.00 -0.343 N ATOM 4 C LIG 1 -0.223 3.670 1.637 0.00 0.00 +0.149 C ATOM 5 C LIG 1 0.397 1.713 0.205 0.00 0.00 +0.105 A ATOM 6 C LIG 1 -0.134 0.453 -0.007 0.00 0.00 +0.037 A ATOM 7 C LIG 1 -1.198 0.236 0.911 0.00 0.00 -0.012 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 1.500 2.368 -0.483 0.00 0.00 +0.263 C ATOM 9 N LIG 1 2.635 1.609 -0.766 0.00 0.00 -0.293 N ATOM 10 C LIG 1 3.004 0.383 -0.046 0.00 0.00 +0.127 C ATOM 11 C LIG 1 4.521 0.260 0.194 0.00 0.00 +0.127 C ATOM 12 N LIG 1 5.280 0.374 -1.060 0.00 0.00 -0.296 N ATOM 13 C LIG 1 4.717 1.231 -2.115 0.00 0.00 +0.127 C ATOM 14 C LIG 1 3.693 2.235 -1.557 0.00 0.00 +0.127 C ATOM 15 O LIG 1 1.448 3.556 -0.805 0.00 0.00 -0.268 OA BRANCH 12 16 ATOM 16 C LIG 1 6.524 -0.169 -1.163 0.00 0.00 +0.227 A ATOM 17 C LIG 1 7.486 -0.320 -2.147 0.00 0.00 +0.201 A ATOM 18 N LIG 1 8.600 -0.960 -1.651 0.00 0.00 -0.200 NA ATOM 19 C LIG 1 8.288 -1.185 -0.393 0.00 0.00 +0.202 A ATOM 20 O LIG 1 7.049 -0.741 -0.031 0.00 0.00 -0.425 OA BRANCH 19 21 ATOM 21 C LIG 1 9.259 -1.879 0.604 0.00 0.00 +0.075 C ATOM 22 C LIG 1 10.633 -1.296 0.809 0.00 0.00 +0.013 C ATOM 23 C LIG 1 9.604 -1.180 1.893 0.00 0.00 +0.013 C ENDBRANCH 19 21 BRANCH 17 24 ATOM 24 C LIG 1 7.418 0.076 -3.514 0.00 0.00 +0.124 C ATOM 25 N LIG 1 7.335 0.417 -4.622 0.00 0.00 -0.189 NA ENDBRANCH 17 24 ENDBRANCH 12 16 ENDBRANCH 5 8 BRANCH 7 26 ATOM 26 C LIG 1 -2.026 -1.016 1.010 0.00 0.00 +0.121 C BRANCH 26 27 ATOM 27 N LIG 1 -3.452 -0.708 0.811 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -3.741 -0.347 -0.599 0.00 0.00 +0.103 C ATOM 29 C LIG 1 -5.244 -0.064 -0.831 0.00 0.00 +0.120 C ATOM 30 N LIG 1 -6.052 -1.239 -0.433 0.00 0.00 -0.326 N ATOM 31 C LIG 1 -5.792 -1.631 0.970 0.00 0.00 +0.120 C ATOM 32 C LIG 1 -4.281 -1.877 1.183 0.00 0.00 +0.103 C BRANCH 30 33 ATOM 33 C LIG 1 -7.431 -1.144 -0.711 0.00 0.00 +0.047 A ATOM 34 C LIG 1 -8.098 -2.208 -1.353 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -9.472 -2.125 -1.627 0.00 0.00 +0.021 A ATOM 36 C LIG 1 -10.197 -0.994 -1.258 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -9.554 0.058 -0.615 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -8.186 -0.019 -0.343 0.00 0.00 +0.024 A BRANCH 34 39 ATOM 39 C LIG 1 -7.392 -3.394 -1.748 0.00 0.00 +0.101 C ATOM 40 N LIG 1 -6.863 -4.375 -2.077 0.00 0.00 -0.191 NA ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 7 26 TORSDOF 8