REMARK Name = BDB043218 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.551 -1.207 -0.675 0.00 0.00 +0.131 A ATOM 2 N LIG 1 -1.398 -0.562 -0.445 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 -1.407 0.774 -0.427 0.00 0.00 +0.223 A ATOM 4 N LIG 1 -2.511 1.507 -0.621 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -3.666 0.869 -0.858 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -3.715 -0.512 -0.904 0.00 0.00 +0.087 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -4.847 1.607 -1.080 0.00 0.00 -0.313 N ATOM 8 C LIG 1 -5.896 1.295 -0.076 0.00 0.00 +0.122 C ATOM 9 C LIG 1 -6.875 2.476 0.120 0.00 0.00 +0.103 C ATOM 10 N LIG 1 -6.244 3.754 0.515 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 -6.247 3.940 1.964 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.863 3.863 -0.018 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -4.647 3.056 -1.315 0.00 0.00 +0.122 C ENDBRANCH 5 7 BRANCH 1 14 ATOM 14 N LIG 1 -2.452 -2.597 -0.682 0.00 0.00 -0.283 N ATOM 15 H LIG 1 -1.471 -2.850 -0.633 0.00 0.00 +0.155 HD BRANCH 14 21 ATOM 16 C LIG 1 -6.440 -5.553 -0.294 0.00 0.00 +0.065 C ATOM 17 C LIG 1 -5.117 -4.920 -0.474 0.00 0.00 +0.035 A ATOM 18 N LIG 1 -3.995 -5.636 -0.771 0.00 0.00 -0.280 N ATOM 19 H LIG 1 -3.906 -6.638 -0.909 0.00 0.00 +0.189 HD ATOM 20 N LIG 1 -2.889 -4.886 -0.865 0.00 0.00 -0.158 NA ATOM 21 C LIG 1 -3.309 -3.633 -0.667 0.00 0.00 +0.146 A ATOM 22 C LIG 1 -4.696 -3.610 -0.390 0.00 0.00 +0.068 A ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 3 23 ATOM 23 N LIG 1 -0.252 1.517 -0.191 0.00 0.00 -0.284 N ATOM 24 H LIG 1 -0.483 2.498 -0.241 0.00 0.00 +0.155 HD BRANCH 23 25 ATOM 25 C LIG 1 1.088 1.190 0.028 0.00 0.00 +0.034 A ATOM 26 C LIG 1 2.005 2.222 0.251 0.00 0.00 +0.025 A ATOM 27 C LIG 1 3.365 1.964 0.491 0.00 0.00 +0.025 A ATOM 28 C LIG 1 3.866 0.659 0.533 0.00 0.00 +0.037 A ATOM 29 C LIG 1 2.945 -0.371 0.297 0.00 0.00 +0.025 A ATOM 30 C LIG 1 1.584 -0.110 0.056 0.00 0.00 +0.025 A BRANCH 28 31 ATOM 31 N LIG 1 5.252 0.370 0.777 0.00 0.00 -0.261 N ATOM 32 C LIG 1 6.285 1.319 0.644 0.00 0.00 +0.238 C ATOM 33 O LIG 1 6.157 2.523 0.434 0.00 0.00 -0.274 OA ATOM 34 C LIG 1 7.687 0.737 0.866 0.00 0.00 +0.204 C ATOM 35 N LIG 1 7.792 -0.627 0.350 0.00 0.00 -0.288 N ATOM 36 C LIG 1 6.816 -1.541 0.763 0.00 0.00 +0.234 C ATOM 37 O LIG 1 6.937 -2.763 0.700 0.00 0.00 -0.274 OA ATOM 38 C LIG 1 5.618 -0.887 1.443 0.00 0.00 +0.209 C BRANCH 35 39 ATOM 39 C LIG 1 9.046 -1.114 -0.185 0.00 0.00 +0.077 C ATOM 40 C LIG 1 9.758 -0.393 -1.300 0.00 0.00 +0.024 C ATOM 41 C LIG 1 10.383 -0.469 0.065 0.00 0.00 +0.024 C ENDBRANCH 35 39 ENDBRANCH 28 31 ENDBRANCH 23 25 ENDBRANCH 3 23 TORSDOF 7