REMARK Name = BDB022299 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.304 -0.476 0.957 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -1.050 -0.412 0.594 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -1.866 -1.560 0.487 0.00 0.00 +0.021 A ATOM 4 C LIG 1 -3.294 -1.472 0.070 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -4.022 -2.596 0.134 0.00 0.00 +0.093 A ATOM 6 C LIG 1 -3.475 -3.914 0.511 0.00 0.00 +0.253 A ATOM 7 N LIG 1 -2.122 -3.980 0.791 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -1.557 -5.275 1.135 0.00 0.00 +0.152 C ATOM 9 O LIG 1 -4.242 -4.875 0.534 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 -1.303 -2.811 0.804 0.00 0.00 +0.054 A ATOM 11 C LIG 1 0.054 -2.880 1.155 0.00 0.00 +0.028 A ATOM 12 C LIG 1 0.847 -1.729 1.220 0.00 0.00 +0.025 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 1.039 0.725 0.987 0.00 0.00 -0.299 N ATOM 14 H LIG 1 0.524 1.491 1.434 0.00 0.00 +0.154 HD BRANCH 13 21 ATOM 15 C LIG 1 4.772 0.607 0.618 0.00 0.00 +0.153 A ATOM 16 N LIG 1 5.181 1.643 1.295 0.00 0.00 -0.221 NA ATOM 17 C LIG 1 4.199 2.397 1.872 0.00 0.00 +0.158 A ATOM 18 N LIG 1 2.843 2.071 1.761 0.00 0.00 -0.200 N ATOM 19 N LIG 1 2.055 2.981 2.409 0.00 0.00 -0.172 NA ATOM 20 C LIG 1 2.920 3.853 2.928 0.00 0.00 +0.137 A ATOM 21 C LIG 1 2.413 0.926 1.044 0.00 0.00 +0.129 A ATOM 22 C LIG 1 4.255 3.545 2.628 0.00 0.00 +0.069 A ATOM 23 C LIG 1 3.354 0.180 0.436 0.00 0.00 +0.079 A BRANCH 15 24 ATOM 24 C LIG 1 5.800 -0.286 -0.059 0.00 0.00 +0.358 C ATOM 25 O LIG 1 5.833 -1.489 0.131 0.00 0.00 -0.243 OA BRANCH 24 26 ATOM 26 O LIG 1 6.568 0.447 -0.887 0.00 0.00 -0.460 OA BRANCH 26 28 ATOM 27 C LIG 1 8.371 0.643 -2.441 0.00 0.00 +0.048 C ATOM 28 C LIG 1 7.573 -0.308 -1.571 0.00 0.00 +0.229 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 15 24 ENDBRANCH 13 21 ENDBRANCH 1 13 BRANCH 4 29 ATOM 29 N LIG 1 -3.790 -0.248 -0.351 0.00 0.00 -0.334 N ATOM 30 H LIG 1 -3.099 0.418 -0.691 0.00 0.00 +0.147 HD BRANCH 29 31 ATOM 31 C LIG 1 -5.110 0.057 -0.926 0.00 0.00 +0.135 C ATOM 32 C LIG 1 -5.194 -0.452 -2.365 0.00 0.00 +0.036 C BRANCH 31 33 ATOM 33 C LIG 1 -5.349 1.571 -0.927 0.00 0.00 +0.149 A ATOM 34 N LIG 1 -6.607 2.013 -0.711 0.00 0.00 -0.238 NA ATOM 35 C LIG 1 -6.786 3.347 -0.734 0.00 0.00 +0.114 A ATOM 36 C LIG 1 -5.775 4.247 -0.974 0.00 0.00 +0.039 A ATOM 37 C LIG 1 -4.534 3.701 -1.197 0.00 0.00 +0.114 A ATOM 38 N LIG 1 -4.290 2.378 -1.187 0.00 0.00 -0.238 NA ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 4 29 TORSDOF 8