REMARK Name = BDB050652 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.276 -1.799 -0.016 0.00 0.00 +0.265 C ATOM 2 N LIG 1 0.765 -1.676 -0.959 0.00 0.00 -0.292 N ATOM 3 O LIG 1 -0.087 -1.536 1.170 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 2.135 -1.422 -0.462 0.00 0.00 +0.091 C ATOM 5 C LIG 1 2.320 -0.094 0.286 0.00 0.00 +0.037 C ATOM 6 C LIG 1 3.830 0.191 0.419 0.00 0.00 +0.091 C ATOM 7 C LIG 1 4.639 -1.088 0.738 0.00 0.00 +0.093 C ATOM 8 N LIG 1 3.844 -2.200 1.246 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 4.419 -3.012 1.463 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 2.716 -2.582 0.390 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 4.117 1.302 1.433 0.00 0.00 +0.220 C ATOM 12 N LIG 1 5.342 1.954 1.345 0.00 0.00 -0.297 N ATOM 13 C LIG 1 5.637 3.038 2.290 0.00 0.00 +0.136 C ATOM 14 C LIG 1 6.386 4.181 1.598 0.00 0.00 +0.179 C ATOM 15 O LIG 1 7.619 3.780 0.979 0.00 0.00 -0.377 OA ATOM 16 C LIG 1 7.679 2.387 0.649 0.00 0.00 +0.179 C ATOM 17 C LIG 1 6.319 1.798 0.263 0.00 0.00 +0.136 C ATOM 18 O LIG 1 3.296 1.609 2.298 0.00 0.00 -0.275 OA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 23 ATOM 19 N LIG 1 -2.809 -1.723 -0.044 0.00 0.00 -0.324 N ATOM 20 C LIG 1 -3.811 -2.428 -0.700 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -3.275 -3.431 -1.374 0.00 0.00 -0.239 NA ATOM 22 C LIG 1 -1.930 -3.358 -1.183 0.00 0.00 +0.143 A ATOM 23 C LIG 1 -1.584 -2.248 -0.444 0.00 0.00 +0.124 A BRANCH 20 24 ATOM 24 C LIG 1 -5.316 -2.173 -0.670 0.00 0.00 +0.020 C ATOM 25 C LIG 1 -5.670 -0.705 -0.958 0.00 0.00 +0.019 C ATOM 26 C LIG 1 -5.990 -3.014 -1.786 0.00 0.00 +0.019 C ATOM 27 C LIG 1 -5.920 -2.634 0.668 0.00 0.00 +0.019 C ENDBRANCH 20 24 BRANCH 19 28 ATOM 28 C LIG 1 -2.958 -0.666 0.947 0.00 0.00 +0.124 C BRANCH 28 29 ATOM 29 C LIG 1 -2.592 0.720 0.417 0.00 0.00 +0.024 C BRANCH 29 30 ATOM 30 C LIG 1 -2.808 1.835 1.442 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -4.275 2.106 1.755 0.00 0.00 +0.159 C BRANCH 31 33 ATOM 32 C LIG 1 -5.685 3.541 2.986 0.00 0.00 +0.193 C ATOM 33 O LIG 1 -4.343 3.220 2.643 0.00 0.00 -0.383 OA ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 19 28 ENDBRANCH 1 23 BRANCH 2 34 ATOM 34 C LIG 1 0.602 -1.793 -2.420 0.00 0.00 +0.111 C BRANCH 34 35 ATOM 35 C LIG 1 0.548 -0.477 -3.227 0.00 0.00 +0.000 C ATOM 36 C LIG 1 1.911 0.184 -3.424 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -0.464 0.523 -2.677 0.00 0.00 +0.009 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 11