REMARK Name = BDB004868 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.144 -0.905 -2.826 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.467 -1.721 -1.733 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.361 -2.797 -1.860 0.00 0.00 -0.029 A ATOM 4 C LIG 1 1.952 -3.036 -3.106 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.637 -2.229 -4.199 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.735 -1.168 -4.059 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -1.299 1.029 -3.508 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -0.790 0.125 -2.595 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -1.106 0.212 -1.637 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -0.942 1.174 -4.670 0.00 0.00 -0.270 OA BRANCH 7 13 ATOM 11 C LIG 1 -4.280 2.335 -1.504 0.00 0.00 -0.033 A ATOM 12 C LIG 1 -3.268 1.484 -1.979 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -2.383 1.913 -2.980 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.536 3.190 -3.532 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -3.541 4.042 -3.066 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -4.404 3.617 -2.054 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.217 1.856 -0.415 0.00 0.00 +0.119 C BRANCH 17 19 ATOM 18 C LIG 1 -4.248 2.985 1.498 0.00 0.00 +0.104 C ATOM 19 N LIG 1 -4.536 1.686 0.882 0.00 0.00 -0.304 NA ATOM 20 C LIG 1 -5.377 0.893 1.784 0.00 0.00 +0.104 C ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 1.684 -3.666 -0.668 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 2.876 -3.198 0.029 0.00 0.00 -0.324 N ATOM 23 H LIG 1 3.548 -2.800 -0.621 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 2.699 -2.304 1.105 0.00 0.00 +0.130 A ATOM 25 C LIG 1 3.820 -1.903 1.859 0.00 0.00 +0.041 A ATOM 26 C LIG 1 3.583 -0.994 2.908 0.00 0.00 +0.088 A ATOM 27 C LIG 1 4.689 -0.585 3.678 0.00 0.00 +0.063 A ATOM 28 C LIG 1 5.979 -1.086 3.435 0.00 0.00 +0.015 A ATOM 29 C LIG 1 6.201 -1.987 2.407 0.00 0.00 +0.002 A ATOM 30 N LIG 1 2.333 -0.554 3.166 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 1.340 -1.028 2.412 0.00 0.00 +0.223 A ATOM 32 C LIG 1 5.131 -2.387 1.621 0.00 0.00 +0.013 A ATOM 33 N LIG 1 1.461 -1.885 1.402 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 4.577 0.398 4.797 0.00 0.00 +0.244 C ATOM 35 O LIG 1 5.461 0.518 5.640 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 3.466 1.184 4.858 0.00 0.00 -0.325 N ATOM 37 H LIG 1 2.637 0.914 4.335 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 3.349 1.766 5.677 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 8