REMARK Name = BDB015205 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.091 -1.524 1.253 0.00 0.00 +0.119 A ATOM 2 N LIG 1 0.722 -2.610 0.765 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 -0.037 -3.605 0.259 0.00 0.00 +0.113 A ATOM 4 C LIG 1 -1.419 -3.580 0.218 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -2.083 -2.467 0.733 0.00 0.00 -0.013 A ATOM 6 C LIG 1 -1.300 -1.432 1.263 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.553 -2.381 0.722 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -4.196 -1.275 0.128 0.00 0.00 +0.036 A ATOM 9 C LIG 1 -5.599 -1.235 0.136 0.00 0.00 +0.069 A ATOM 10 C LIG 1 -6.368 -2.246 0.707 0.00 0.00 +0.089 A ATOM 11 N LIG 1 -7.707 -1.978 0.582 0.00 0.00 -0.236 NA ATOM 12 C LIG 1 -7.771 -0.831 -0.052 0.00 0.00 +0.200 A ATOM 13 C LIG 1 -5.734 -3.344 1.301 0.00 0.00 +0.030 A ATOM 14 N LIG 1 -6.526 -0.337 -0.341 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -4.333 -3.398 1.301 0.00 0.00 +0.011 A BRANCH 14 16 ATOM 16 C LIG 1 -6.250 0.908 -1.029 0.00 0.00 +0.104 C ATOM 17 C LIG 1 -6.738 0.918 -2.482 0.00 0.00 +0.106 C ATOM 18 N LIG 1 -7.272 2.268 -2.716 0.00 0.00 -0.314 NA ATOM 19 H LIG 1 -6.498 2.904 -2.916 0.00 0.00 +0.122 HD ATOM 20 C LIG 1 -7.876 2.646 -1.435 0.00 0.00 +0.083 C ATOM 21 C LIG 1 -6.898 2.140 -0.388 0.00 0.00 +0.041 C ENDBRANCH 14 16 ENDBRANCH 5 7 BRANCH 1 22 ATOM 22 N LIG 1 0.824 -0.474 1.829 0.00 0.00 -0.327 N ATOM 23 H LIG 1 0.503 0.419 1.458 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 2.278 -0.585 1.663 0.00 0.00 +0.135 C BRANCH 24 25 ATOM 25 C LIG 1 2.942 0.686 2.218 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 O LIG 1 2.570 1.810 1.391 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 3.207 1.779 0.646 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 4.483 0.607 2.277 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 5.076 0.642 0.921 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 6.248 1.544 0.890 0.00 0.00 +0.120 C ATOM 31 C LIG 1 6.982 1.535 -0.434 0.00 0.00 -0.030 A ATOM 32 C LIG 1 6.856 0.450 -1.320 0.00 0.00 -0.042 A ATOM 33 C LIG 1 7.567 0.450 -2.527 0.00 0.00 +0.004 A ATOM 34 C LIG 1 8.420 1.507 -2.842 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.563 2.574 -1.957 0.00 0.00 +0.000 A ATOM 36 C LIG 1 5.908 -0.677 -0.998 0.00 0.00 +0.051 C ATOM 37 C LIG 1 7.851 2.587 -0.758 0.00 0.00 +0.005 A ATOM 38 C LIG 1 5.506 -0.700 0.483 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 8