REMARK Name = BDB004207 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.400 1.591 0.645 0.00 0.00 +0.006 C ATOM 2 C LIG 1 -1.296 0.972 1.729 0.00 0.00 +0.024 C ATOM 3 C LIG 1 -2.771 1.018 1.322 0.00 0.00 +0.105 C ATOM 4 N LIG 1 -2.957 0.379 0.005 0.00 0.00 -0.330 N ATOM 5 C LIG 1 -2.138 0.963 -1.067 0.00 0.00 +0.105 C ATOM 6 C LIG 1 -0.658 0.882 -0.689 0.00 0.00 +0.024 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.305 0.102 -0.290 0.00 0.00 +0.030 A ATOM 8 C LIG 1 -4.988 0.646 -1.385 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -6.331 0.335 -1.641 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -7.045 -0.538 -0.809 0.00 0.00 -0.039 A ATOM 11 C LIG 1 -6.367 -1.098 0.280 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -5.024 -0.786 0.525 0.00 0.00 +0.023 A BRANCH 10 13 ATOM 13 C LIG 1 -8.515 -0.829 -1.111 0.00 0.00 +0.063 C ATOM 14 C LIG 1 -9.529 0.097 -0.389 0.00 0.00 +0.068 C ATOM 15 C LIG 1 -9.715 -0.392 1.050 0.00 0.00 +0.238 C ATOM 16 O LIG 1 -10.267 -1.713 1.107 0.00 0.00 -0.491 OA ATOM 17 C LIG 1 -9.731 -2.618 0.230 0.00 0.00 +0.128 A ATOM 18 C LIG 1 -10.090 -3.950 0.452 0.00 0.00 +0.091 A ATOM 19 C LIG 1 -9.603 -4.943 -0.392 0.00 0.00 +0.120 A ATOM 20 C LIG 1 -8.769 -4.626 -1.456 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -8.418 -3.296 -1.685 0.00 0.00 +0.011 A ATOM 22 C LIG 1 -8.901 -2.276 -0.847 0.00 0.00 +0.003 A BRANCH 14 23 ATOM 23 C LIG 1 -9.253 1.584 -0.534 0.00 0.00 -0.040 A ATOM 24 C LIG 1 -8.453 2.295 0.374 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -8.207 3.657 0.193 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -8.755 4.330 -0.897 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -9.545 3.639 -1.810 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -9.790 2.276 -1.633 0.00 0.00 +0.004 A ENDBRANCH 14 23 BRANCH 19 29 ATOM 29 O LIG 1 -9.926 -6.255 -0.206 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 -10.496 -6.324 0.578 0.00 0.00 +0.292 HD ENDBRANCH 19 29 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 31 ATOM 31 C LIG 1 1.084 1.650 1.074 0.00 0.00 +0.088 C BRANCH 31 42 ATOM 32 N LIG 1 10.404 0.581 -0.275 0.00 0.00 -0.282 N ATOM 33 C LIG 1 9.903 -0.618 -0.752 0.00 0.00 +0.248 C ATOM 34 O LIG 1 10.511 -1.543 -1.252 0.00 0.00 -0.270 OA ATOM 35 C LIG 1 8.458 -0.605 -0.503 0.00 0.00 +0.045 A ATOM 36 C LIG 1 8.149 0.559 0.191 0.00 0.00 -0.016 A ATOM 37 C LIG 1 6.843 0.827 0.571 0.00 0.00 +0.032 A ATOM 38 C LIG 1 5.825 -0.093 0.255 0.00 0.00 +0.073 A ATOM 39 N LIG 1 4.498 0.131 0.630 0.00 0.00 -0.318 N ATOM 40 C LIG 1 3.575 -0.995 0.386 0.00 0.00 +0.125 C ATOM 41 C LIG 1 2.120 -0.455 0.335 0.00 0.00 +0.110 C ATOM 42 N LIG 1 1.685 0.373 1.494 0.00 0.00 -0.299 NA ATOM 43 C LIG 1 2.817 0.594 2.423 0.00 0.00 +0.103 C ATOM 44 C LIG 1 3.936 -1.675 -0.937 0.00 0.00 +0.252 C ATOM 45 O LIG 1 5.267 -2.203 -0.899 0.00 0.00 -0.488 OA ATOM 46 C LIG 1 4.162 0.999 1.769 0.00 0.00 +0.121 C ATOM 47 C LIG 1 6.184 -1.255 -0.496 0.00 0.00 +0.142 A ATOM 48 C LIG 1 7.505 -1.532 -0.858 0.00 0.00 +0.061 A ATOM 49 C LIG 1 9.389 1.351 0.431 0.00 0.00 +0.144 C BRANCH 32 56 ATOM 50 O LIG 1 14.782 -1.872 -1.045 0.00 0.00 -0.275 OA ATOM 51 C LIG 1 13.896 -1.049 -0.826 0.00 0.00 +0.219 C ATOM 52 N LIG 1 13.492 -0.791 0.457 0.00 0.00 -0.255 N ATOM 53 H LIG 1 13.917 -1.371 1.167 0.00 0.00 +0.158 HD ATOM 54 C LIG 1 12.495 0.045 0.887 0.00 0.00 +0.240 C ATOM 55 O LIG 1 12.143 0.047 2.068 0.00 0.00 -0.273 OA ATOM 56 C LIG 1 11.818 0.924 -0.165 0.00 0.00 +0.163 C ATOM 57 C LIG 1 12.587 1.004 -1.482 0.00 0.00 +0.041 C ATOM 58 C LIG 1 13.199 -0.308 -1.938 0.00 0.00 +0.098 C ENDBRANCH 32 56 ENDBRANCH 31 42 ENDBRANCH 1 31 TORSDOF 7