REMARK Name = BDB020667 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.497 1.279 -0.393 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -2.163 0.439 0.767 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -3.343 0.008 1.606 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -0.852 0.113 0.992 0.00 0.00 +0.044 A ATOM 5 N LIG 1 0.113 0.579 0.050 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -0.208 1.388 -1.040 0.00 0.00 +0.048 A ATOM 7 C LIG 1 0.939 1.700 -1.734 0.00 0.00 +0.036 A ATOM 8 C LIG 1 2.021 1.047 -1.098 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.476 0.344 -0.040 0.00 0.00 +0.100 A ATOM 10 C LIG 1 -1.565 1.739 -1.242 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 3.431 1.029 -1.458 0.00 0.00 +0.002 A ATOM 12 C LIG 1 4.437 0.791 -0.529 0.00 0.00 +0.121 A ATOM 13 N LIG 1 5.766 0.775 -0.811 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 6.154 1.021 -2.080 0.00 0.00 +0.121 A ATOM 15 C LIG 1 5.207 1.257 -3.078 0.00 0.00 +0.044 A ATOM 16 C LIG 1 3.845 1.266 -2.766 0.00 0.00 +0.013 A BRANCH 14 17 ATOM 17 N LIG 1 7.523 1.016 -2.415 0.00 0.00 -0.313 N ATOM 18 C LIG 1 8.371 0.449 -1.345 0.00 0.00 +0.121 C ATOM 19 C LIG 1 9.853 0.436 -1.783 0.00 0.00 +0.100 C ATOM 20 N LIG 1 10.359 1.770 -2.179 0.00 0.00 -0.313 NA ATOM 21 H LIG 1 10.267 2.387 -1.371 0.00 0.00 +0.122 HD ATOM 22 C LIG 1 9.489 2.292 -3.252 0.00 0.00 +0.100 C ATOM 23 C LIG 1 7.989 2.344 -2.873 0.00 0.00 +0.121 C ENDBRANCH 14 17 ENDBRANCH 8 11 BRANCH 1 26 ATOM 24 N LIG 1 -4.564 0.743 -1.453 0.00 0.00 -0.307 N ATOM 25 H LIG 1 -4.134 -0.162 -1.614 0.00 0.00 +0.149 HD ATOM 26 C LIG 1 -3.890 1.687 -0.723 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -4.349 2.763 -0.366 0.00 0.00 -0.270 OA BRANCH 24 28 ATOM 28 C LIG 1 -5.964 0.875 -1.785 0.00 0.00 +0.145 C BRANCH 28 35 ATOM 29 C LIG 1 -9.109 -2.154 2.058 0.00 0.00 +0.063 C ATOM 30 C LIG 1 -8.323 -1.292 1.120 0.00 0.00 +0.016 A ATOM 31 N LIG 1 -7.586 -1.923 0.151 0.00 0.00 -0.326 N ATOM 32 H LIG 1 -7.576 -2.935 0.099 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 -6.803 -1.280 -0.773 0.00 0.00 +0.254 A ATOM 34 O LIG 1 -6.136 -1.908 -1.591 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -6.792 0.220 -0.720 0.00 0.00 +0.037 A ATOM 36 C LIG 1 -7.528 0.836 0.234 0.00 0.00 -0.039 A ATOM 37 C LIG 1 -7.630 2.323 0.436 0.00 0.00 +0.044 C ATOM 38 C LIG 1 -8.304 0.048 1.182 0.00 0.00 +0.024 A ENDBRANCH 28 35 ENDBRANCH 24 28 ENDBRANCH 1 26 BRANCH 4 39 ATOM 39 C LIG 1 -0.426 -0.688 2.238 0.00 0.00 +0.101 C ATOM 40 C LIG 1 0.815 -0.182 2.995 0.00 0.00 +0.031 C BRANCH 39 41 ATOM 41 N LIG 1 -0.574 -2.143 2.062 0.00 0.00 -0.290 NA ATOM 42 C LIG 1 0.235 -2.817 1.038 0.00 0.00 +0.113 C ATOM 43 C LIG 1 1.592 -3.345 1.525 0.00 0.00 +0.175 C ATOM 44 O LIG 1 1.446 -4.176 2.682 0.00 0.00 -0.377 OA ATOM 45 C LIG 1 0.799 -3.460 3.739 0.00 0.00 +0.175 C ATOM 46 C LIG 1 -0.578 -2.934 3.305 0.00 0.00 +0.113 C ENDBRANCH 39 41 ENDBRANCH 4 39 TORSDOF 7