REMARK Name = BDB043667 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.385 -2.211 0.394 0.00 0.00 +0.165 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 1.735 -1.237 -0.427 0.00 0.00 -0.308 N ATOM 3 H LIG 1 2.073 -2.188 -0.340 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 0.382 -1.033 -0.247 0.00 0.00 +0.234 C ATOM 5 O LIG 1 -0.192 0.020 -0.541 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 2.554 -0.295 -1.192 0.00 0.00 +0.105 C BRANCH 6 7 ATOM 7 C LIG 1 3.875 0.011 -0.454 0.00 0.00 +0.028 C BRANCH 7 8 ATOM 8 C LIG 1 5.078 -0.943 -0.657 0.00 0.00 -0.009 C ATOM 9 C LIG 1 6.323 -0.400 0.076 0.00 0.00 +0.003 C ATOM 10 C LIG 1 6.244 -0.557 1.595 0.00 0.00 +0.000 C ATOM 11 C LIG 1 5.937 -1.994 2.006 0.00 0.00 +0.000 C ATOM 12 C LIG 1 4.708 -2.547 1.289 0.00 0.00 +0.000 C ATOM 13 C LIG 1 4.840 -2.397 -0.224 0.00 0.00 +0.003 C ENDBRANCH 7 8 ENDBRANCH 6 7 BRANCH 6 14 ATOM 14 C LIG 1 2.710 -0.730 -2.674 0.00 0.00 +0.177 C BRANCH 14 19 ATOM 15 N LIG 1 2.715 2.046 -5.009 0.00 0.00 -0.264 N ATOM 16 C LIG 1 3.140 0.966 -5.749 0.00 0.00 +0.403 C ATOM 17 O LIG 1 3.245 0.905 -6.962 0.00 0.00 -0.226 OA ATOM 18 O LIG 1 3.404 -0.087 -4.913 0.00 0.00 -0.443 OA ATOM 19 C LIG 1 3.299 0.385 -3.551 0.00 0.00 +0.225 C ATOM 20 C LIG 1 2.431 1.624 -3.671 0.00 0.00 +0.158 C BRANCH 15 22 ATOM 21 C LIG 1 0.648 3.008 -5.974 0.00 0.00 +0.024 C ATOM 22 C LIG 1 2.106 3.221 -5.601 0.00 0.00 +0.108 C ENDBRANCH 15 22 ENDBRANCH 14 19 BRANCH 14 23 ATOM 23 O LIG 1 1.433 -1.126 -3.211 0.00 0.00 -0.386 OA ATOM 24 H LIG 1 1.585 -1.344 -4.152 0.00 0.00 +0.210 HD ENDBRANCH 14 23 ENDBRANCH 6 14 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 25 ATOM 25 N LIG 1 -1.672 -1.654 0.820 0.00 0.00 -0.303 N ATOM 26 H LIG 1 -1.994 -0.878 0.248 0.00 0.00 +0.149 HD ATOM 27 C LIG 1 -2.097 -1.734 2.125 0.00 0.00 +0.217 C ATOM 28 O LIG 1 -1.570 -2.483 2.945 0.00 0.00 -0.275 OA BRANCH 27 29 ATOM 29 C LIG 1 -3.280 -0.840 2.478 0.00 0.00 +0.088 C BRANCH 29 30 ATOM 30 C LIG 1 -4.524 -1.317 1.702 0.00 0.00 +0.048 C BRANCH 30 31 ATOM 31 C LIG 1 -5.778 -0.522 1.976 0.00 0.00 -0.047 A ATOM 32 C LIG 1 -6.355 0.268 0.970 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -7.503 1.019 1.229 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.087 0.986 2.493 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.529 0.197 3.496 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.381 -0.555 3.239 0.00 0.00 +0.003 A ENDBRANCH 30 31 ENDBRANCH 29 30 BRANCH 29 37 ATOM 37 C LIG 1 -2.913 0.631 2.193 0.00 0.00 +0.109 C BRANCH 37 38 ATOM 38 C LIG 1 -3.419 1.605 3.247 0.00 0.00 +0.216 C ATOM 39 N LIG 1 -3.390 2.955 2.903 0.00 0.00 -0.297 N ATOM 40 C LIG 1 -3.806 3.922 3.922 0.00 0.00 +0.136 C ATOM 41 C LIG 1 -4.288 5.232 3.292 0.00 0.00 +0.179 C ATOM 42 O LIG 1 -3.310 5.770 2.389 0.00 0.00 -0.377 OA ATOM 43 C LIG 1 -3.050 4.839 1.329 0.00 0.00 +0.179 C ATOM 44 C LIG 1 -2.507 3.514 1.873 0.00 0.00 +0.136 C ATOM 45 O LIG 1 -3.813 1.223 4.348 0.00 0.00 -0.276 OA ENDBRANCH 37 38 ENDBRANCH 29 37 ENDBRANCH 27 29 ENDBRANCH 1 25 BRANCH 1 46 ATOM 46 C LIG 1 -0.607 -3.369 -0.586 0.00 0.00 +0.086 C BRANCH 46 47 ATOM 47 C LIG 1 0.582 -4.257 -0.719 0.00 0.00 +0.038 A ATOM 48 N LIG 1 0.985 -5.138 0.255 0.00 0.00 -0.348 N ATOM 49 H LIG 1 0.532 -5.309 1.144 0.00 0.00 +0.166 HD ATOM 50 C LIG 1 2.134 -5.733 -0.182 0.00 0.00 +0.196 A ATOM 51 N LIG 1 2.470 -5.309 -1.378 0.00 0.00 -0.244 NA ATOM 52 C LIG 1 1.491 -4.425 -1.740 0.00 0.00 +0.133 A ENDBRANCH 46 47 ENDBRANCH 1 46 TORSDOF 16