REMARK Name = BDB015211 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.313 -1.284 0.879 0.00 0.00 +0.024 A ATOM 2 C LIG 1 -0.019 -1.013 1.231 0.00 0.00 +0.055 A ATOM 3 C LIG 1 -1.014 -0.940 0.257 0.00 0.00 +0.119 A ATOM 4 N LIG 1 -0.733 -1.100 -1.049 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 0.545 -1.361 -1.392 0.00 0.00 +0.113 A ATOM 6 C LIG 1 1.581 -1.463 -0.483 0.00 0.00 +0.031 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 5.880 -1.906 2.239 0.00 0.00 -0.323 N ATOM 8 C LIG 1 4.540 -1.677 2.417 0.00 0.00 +0.145 A ATOM 9 C LIG 1 4.312 -1.488 3.770 0.00 0.00 +0.037 A ATOM 10 C LIG 1 2.997 -1.230 4.138 0.00 0.00 +0.124 A ATOM 11 N LIG 1 2.034 -1.170 3.188 0.00 0.00 -0.235 NA ATOM 12 C LIG 1 2.381 -1.370 1.893 0.00 0.00 +0.162 A ATOM 13 C LIG 1 5.562 -1.625 4.428 0.00 0.00 +0.031 A ATOM 14 N LIG 1 3.622 -1.635 1.444 0.00 0.00 -0.210 NA ATOM 15 C LIG 1 6.512 -1.892 3.462 0.00 0.00 +0.089 A BRANCH 7 16 ATOM 16 C LIG 1 6.535 -2.178 0.969 0.00 0.00 +0.219 C BRANCH 16 18 ATOM 17 O LIG 1 5.520 -1.791 -1.155 0.00 0.00 -0.274 OA ATOM 18 C LIG 1 6.105 -1.290 -0.188 0.00 0.00 +0.235 C ATOM 19 N LIG 1 6.461 0.057 -0.167 0.00 0.00 -0.300 N ATOM 20 C LIG 1 7.142 0.714 0.949 0.00 0.00 +0.108 C ATOM 21 C LIG 1 7.501 2.172 0.664 0.00 0.00 +0.019 C ATOM 22 C LIG 1 8.098 2.329 -0.729 0.00 0.00 +0.003 C ATOM 23 C LIG 1 7.211 1.721 -1.819 0.00 0.00 +0.019 C ATOM 24 C LIG 1 6.035 0.919 -1.266 0.00 0.00 +0.108 C ENDBRANCH 16 18 ENDBRANCH 7 16 ENDBRANCH 1 12 BRANCH 3 25 ATOM 25 N LIG 1 -2.324 -0.636 0.676 0.00 0.00 -0.327 N ATOM 26 H LIG 1 -2.569 -1.284 1.422 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.346 -0.665 -0.390 0.00 0.00 +0.135 C BRANCH 27 28 ATOM 28 C LIG 1 -3.348 0.665 -1.168 0.00 0.00 +0.145 C BRANCH 28 29 ATOM 29 O LIG 1 -3.490 1.764 -0.250 0.00 0.00 -0.389 OA ATOM 30 H LIG 1 -2.884 1.524 0.482 0.00 0.00 +0.210 HD ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 C LIG 1 -4.431 0.717 -2.269 0.00 0.00 +0.117 C BRANCH 31 32 ATOM 32 N LIG 1 -5.805 0.327 -1.876 0.00 0.00 -0.295 NA ATOM 33 C LIG 1 -6.370 1.280 -0.894 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -7.851 1.083 -0.625 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -8.663 0.360 -1.515 0.00 0.00 -0.042 A ATOM 36 C LIG 1 -10.031 0.214 -1.250 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -10.597 0.806 -0.122 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -9.801 1.542 0.752 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -8.046 -0.306 -2.716 0.00 0.00 +0.051 C ATOM 40 C LIG 1 -8.436 1.683 0.501 0.00 0.00 +0.005 A ATOM 41 C LIG 1 -6.673 0.281 -3.065 0.00 0.00 +0.089 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 9