REMARK Name = BDB049456 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.829 4.345 -1.486 0.00 0.00 +0.116 A ATOM 2 C LIG 1 -2.409 3.262 -0.747 0.00 0.00 +0.177 A ATOM 3 N LIG 1 -1.047 3.465 -0.523 0.00 0.00 -0.199 N ATOM 4 C LIG 1 -0.300 2.552 0.242 0.00 0.00 +0.130 A ATOM 5 N LIG 1 1.076 2.769 0.380 0.00 0.00 -0.299 N ATOM 6 H LIG 1 1.347 3.627 -0.117 0.00 0.00 +0.154 HD ATOM 7 C LIG 1 2.032 1.748 0.120 0.00 0.00 +0.036 A ATOM 8 C LIG 1 3.315 1.868 0.669 0.00 0.00 +0.029 A ATOM 9 C LIG 1 4.302 0.903 0.409 0.00 0.00 -0.020 A ATOM 10 C LIG 1 5.651 0.975 1.069 0.00 0.00 +0.046 C ATOM 11 C LIG 1 6.729 0.361 0.190 0.00 0.00 +0.101 C ATOM 12 C LIG 1 6.319 -0.983 -0.365 0.00 0.00 +0.218 C ATOM 13 O LIG 1 7.134 -1.870 -0.607 0.00 0.00 -0.275 OA ATOM 14 N LIG 1 4.999 -1.134 -0.690 0.00 0.00 -0.282 N ATOM 15 H LIG 1 4.760 -1.961 -1.223 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 4.000 -0.195 -0.404 0.00 0.00 +0.079 A ATOM 17 C LIG 1 2.716 -0.344 -0.928 0.00 0.00 +0.144 A ATOM 18 O LIG 1 2.380 -1.383 -1.756 0.00 0.00 -0.490 OA ATOM 19 C LIG 1 2.009 -2.582 -1.053 0.00 0.00 +0.229 C ATOM 20 C LIG 1 0.623 -2.478 -0.405 0.00 0.00 +0.043 C ATOM 21 C LIG 1 0.035 -3.851 -0.060 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -1.067 -3.830 1.006 0.00 0.00 +0.160 C ATOM 23 O LIG 1 -2.380 -3.523 0.538 0.00 0.00 -0.375 OA ATOM 24 C LIG 1 -2.628 -2.178 0.164 0.00 0.00 +0.137 C ATOM 25 C LIG 1 -4.122 -1.920 -0.001 0.00 0.00 +0.058 C ATOM 26 C LIG 1 -4.200 -0.381 -0.013 0.00 0.00 +0.103 C ATOM 27 N LIG 1 -3.014 0.075 0.763 0.00 0.00 -0.307 N ATOM 28 C LIG 1 -2.385 1.269 0.412 0.00 0.00 +0.127 A ATOM 29 C LIG 1 -2.294 -1.118 1.216 0.00 0.00 +0.138 C ATOM 30 C LIG 1 1.759 0.649 -0.711 0.00 0.00 +0.070 A ATOM 31 C LIG 1 -0.955 1.522 0.804 0.00 0.00 +0.087 A ATOM 32 N LIG 1 -0.594 4.605 -1.126 0.00 0.00 -0.170 NA ATOM 33 N LIG 1 -3.059 2.146 -0.302 0.00 0.00 -0.212 NA ATOM 34 C LIG 1 -1.685 5.131 -1.687 0.00 0.00 +0.156 A ENDROOT BRANCH 1 36 ATOM 35 N LIG 1 -5.211 4.808 -2.368 0.00 0.00 -0.191 NA ATOM 36 C LIG 1 -4.146 4.587 -1.962 0.00 0.00 +0.104 C ENDBRANCH 1 36 BRANCH 26 37 ATOM 37 C LIG 1 -5.508 0.144 0.586 0.00 0.00 +0.178 C BRANCH 37 38 ATOM 38 O LIG 1 -6.623 -0.247 -0.212 0.00 0.00 -0.393 OA ATOM 39 H LIG 1 -6.649 0.359 -0.975 0.00 0.00 +0.209 HD ENDBRANCH 37 38 ENDBRANCH 26 37 TORSDOF 3