REMARK Name = BDB026520 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.588 -2.262 2.580 0.00 0.00 -0.278 N ATOM 2 C LIG 1 -0.373 -1.682 2.240 0.00 0.00 +0.305 C ATOM 3 O LIG 1 -0.172 -0.500 2.018 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 0.570 -2.708 2.153 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -0.103 -3.987 2.082 0.00 0.00 +0.128 C ATOM 6 C LIG 1 -1.481 -3.701 2.663 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -2.855 -1.560 2.514 0.00 0.00 +0.165 C BRANCH 7 11 ATOM 8 C LIG 1 -4.405 -1.457 -1.488 0.00 0.00 +0.071 A ATOM 9 C LIG 1 -4.495 -0.306 -0.711 0.00 0.00 +0.035 A ATOM 10 C LIG 1 -3.992 -0.328 0.596 0.00 0.00 +0.061 A ATOM 11 C LIG 1 -3.410 -1.491 1.101 0.00 0.00 +0.071 A ATOM 12 N LIG 1 -3.335 -2.625 0.340 0.00 0.00 -0.256 NA ATOM 13 C LIG 1 -3.825 -2.583 -0.921 0.00 0.00 +0.130 A BRANCH 10 14 ATOM 14 C LIG 1 -4.137 0.877 1.420 0.00 0.00 +0.248 C ATOM 15 N LIG 1 -3.328 1.972 1.144 0.00 0.00 -0.297 N ATOM 16 C LIG 1 -3.550 3.186 1.927 0.00 0.00 +0.108 C ATOM 17 C LIG 1 -2.630 4.338 1.524 0.00 0.00 +0.019 C ATOM 18 C LIG 1 -2.479 4.410 0.007 0.00 0.00 +0.003 C ATOM 19 C LIG 1 -1.993 3.088 -0.594 0.00 0.00 +0.019 C ATOM 20 C LIG 1 -2.079 1.914 0.383 0.00 0.00 +0.108 C ATOM 21 O LIG 1 -5.012 0.859 2.280 0.00 0.00 -0.270 OA ENDBRANCH 10 14 BRANCH 8 23 ATOM 22 N LIG 1 -5.287 -1.544 -3.916 0.00 0.00 -0.191 NA ATOM 23 C LIG 1 -4.896 -1.497 -2.825 0.00 0.00 +0.101 C ENDBRANCH 8 23 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 24 ATOM 24 C LIG 1 1.888 -2.495 1.577 0.00 0.00 +0.142 C BRANCH 24 25 ATOM 25 C LIG 1 1.865 -2.233 0.061 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 1.618 -3.460 -0.649 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 1.862 -3.256 -1.576 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 3.228 -1.678 -0.410 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 3.221 -1.433 -1.872 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 2.594 -0.132 -2.208 0.00 0.00 +0.120 C ATOM 31 C LIG 1 3.443 1.090 -1.915 0.00 0.00 -0.030 A ATOM 32 C LIG 1 4.845 0.989 -1.812 0.00 0.00 -0.042 A ATOM 33 C LIG 1 5.614 2.138 -1.585 0.00 0.00 +0.004 A ATOM 34 C LIG 1 4.996 3.385 -1.483 0.00 0.00 +0.000 A ATOM 35 C LIG 1 3.610 3.491 -1.599 0.00 0.00 +0.000 A ATOM 36 C LIG 1 5.512 -0.362 -1.881 0.00 0.00 +0.051 C ATOM 37 C LIG 1 2.835 2.351 -1.819 0.00 0.00 +0.005 A ATOM 38 C LIG 1 4.586 -1.450 -2.436 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 9