REMARK Name = BDB026470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.727 0.022 -1.443 0.00 0.00 -0.278 N ATOM 2 C LIG 1 -1.186 -0.649 -0.314 0.00 0.00 +0.305 C ATOM 3 O LIG 1 -1.029 -0.305 0.846 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -1.863 -1.784 -0.752 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -1.996 -1.777 -2.195 0.00 0.00 +0.128 C ATOM 6 C LIG 1 -0.925 -0.785 -2.630 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 0.243 1.098 -1.387 0.00 0.00 +0.164 C BRANCH 7 11 ATOM 8 C LIG 1 4.260 -0.327 -1.528 0.00 0.00 +0.055 A ATOM 9 C LIG 1 3.604 0.190 -2.634 0.00 0.00 +0.124 A ATOM 10 N LIG 1 2.335 0.669 -2.600 0.00 0.00 -0.258 NA ATOM 11 C LIG 1 1.675 0.605 -1.413 0.00 0.00 +0.059 A ATOM 12 C LIG 1 2.254 0.063 -0.265 0.00 0.00 +0.025 A ATOM 13 C LIG 1 3.563 -0.414 -0.325 0.00 0.00 +0.016 A BRANCH 8 20 ATOM 14 C LIG 1 10.169 2.319 1.871 0.00 0.00 +0.109 C ATOM 15 C LIG 1 10.027 0.857 1.532 0.00 0.00 +0.213 C ATOM 16 N LIG 1 8.911 0.485 0.801 0.00 0.00 -0.299 N ATOM 17 C LIG 1 7.836 1.398 0.397 0.00 0.00 +0.126 C ATOM 18 C LIG 1 6.497 0.680 0.163 0.00 0.00 +0.127 C ATOM 19 N LIG 1 6.612 -0.453 -0.766 0.00 0.00 -0.294 N ATOM 20 C LIG 1 5.637 -0.829 -1.686 0.00 0.00 +0.248 C ATOM 21 O LIG 1 5.867 -1.570 -2.639 0.00 0.00 -0.270 OA ATOM 22 C LIG 1 7.935 -1.074 -0.884 0.00 0.00 +0.127 C ATOM 23 C LIG 1 8.780 -0.915 0.384 0.00 0.00 +0.126 C ATOM 24 O LIG 1 10.873 0.046 1.906 0.00 0.00 -0.276 OA ENDBRANCH 8 20 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 25 ATOM 25 C LIG 1 -2.649 -2.652 0.110 0.00 0.00 +0.142 C BRANCH 25 26 ATOM 26 C LIG 1 -4.136 -2.279 0.248 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 -4.824 -2.487 -0.996 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 -5.641 -1.953 -0.910 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -4.376 -0.830 0.722 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 -5.826 -0.506 0.745 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -5.996 0.964 0.779 0.00 0.00 +0.120 C ATOM 32 C LIG 1 -7.433 1.407 0.958 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -8.392 0.539 1.506 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -9.709 0.981 1.690 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -10.066 2.287 1.356 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -9.113 3.157 0.832 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -8.017 -0.883 1.833 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -7.802 2.721 0.635 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -6.498 -1.089 1.921 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 8