REMARK Name = BDB037800 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.905 0.201 -0.047 0.00 0.00 +0.167 C ATOM 2 C LIG 1 -0.107 0.904 -0.977 0.00 0.00 +0.057 C ATOM 3 C LIG 1 -1.459 0.472 -0.475 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -2.708 1.146 -0.512 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.650 0.354 0.017 0.00 0.00 -0.164 NA ATOM 6 N LIG 1 -3.014 -0.761 0.452 0.00 0.00 -0.246 N ATOM 7 C LIG 1 -1.678 -0.769 0.107 0.00 0.00 +0.130 A ATOM 8 N LIG 1 -0.670 -1.744 0.246 0.00 0.00 -0.255 N ATOM 9 C LIG 1 0.651 -1.327 -0.072 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.562 -2.121 -0.327 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.977 2.488 -1.080 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -4.220 3.079 -0.887 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -5.345 2.586 -0.148 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -6.527 3.470 -0.455 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -6.063 4.506 -1.447 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -6.560 2.008 -0.809 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -4.518 4.407 -1.449 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -2.112 3.084 -1.728 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.927 5.486 -0.628 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.490 6.347 0.019 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 6 21 ATOM 21 C LIG 1 -3.835 -1.628 1.291 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -3.218 -2.013 2.633 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -4.212 -2.809 3.475 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -5.175 -3.529 2.705 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -4.674 -3.995 1.458 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -4.447 -2.811 0.530 0.00 0.00 +0.055 C ENDBRANCH 6 21 BRANCH 1 28 ATOM 27 C LIG 1 3.183 0.566 0.791 0.00 0.00 +0.245 C ATOM 28 N LIG 1 2.311 0.529 -0.278 0.00 0.00 -0.299 N ATOM 29 H LIG 1 2.714 0.200 -1.145 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 2.849 0.557 1.968 0.00 0.00 -0.270 OA BRANCH 27 33 ATOM 31 C LIG 1 6.717 -0.657 0.489 0.00 0.00 +0.121 A ATOM 32 C LIG 1 5.367 -0.554 0.826 0.00 0.00 +0.059 A ATOM 33 C LIG 1 4.616 0.556 0.422 0.00 0.00 +0.043 A ATOM 34 C LIG 1 5.209 1.605 -0.297 0.00 0.00 -0.038 A ATOM 35 C LIG 1 4.447 2.829 -0.716 0.00 0.00 +0.044 C ATOM 36 C LIG 1 6.563 1.486 -0.639 0.00 0.00 +0.007 A ATOM 37 C LIG 1 7.310 0.367 -0.248 0.00 0.00 +0.046 A BRANCH 31 38 ATOM 38 O LIG 1 7.328 -1.792 0.940 0.00 0.00 -0.492 OA BRANCH 38 40 ATOM 39 C LIG 1 9.638 -1.403 1.572 0.00 0.00 +0.048 C ATOM 40 C LIG 1 8.684 -2.042 0.577 0.00 0.00 +0.225 C ENDBRANCH 38 40 ENDBRANCH 31 38 ENDBRANCH 27 33 ENDBRANCH 1 28 BRANCH 2 41 ATOM 41 C LIG 1 0.006 0.680 -2.482 0.00 0.00 -0.001 C ATOM 42 C LIG 1 0.932 -0.288 -3.182 0.00 0.00 +0.004 C ATOM 43 C LIG 1 1.190 1.191 -3.268 0.00 0.00 +0.004 C ENDBRANCH 2 41 BRANCH 8 44 ATOM 44 C LIG 1 -0.869 -3.187 0.320 0.00 0.00 +0.112 C ATOM 45 C LIG 1 -0.113 -3.858 1.464 0.00 0.00 +0.025 C ENDBRANCH 8 44 TORSDOF 9