REMARK Name = BDB057719 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.985 -2.113 4.172 0.00 0.00 +0.160 A ATOM 2 C LIG 1 -0.371 -1.704 3.864 0.00 0.00 +0.178 A ATOM 3 N LIG 1 -0.627 -1.088 2.669 0.00 0.00 -0.295 N ATOM 4 C LIG 1 -1.984 -0.830 2.630 0.00 0.00 +0.075 A ATOM 5 C LIG 1 -2.445 -1.273 3.862 0.00 0.00 +0.140 A ATOM 6 C LIG 1 0.410 -0.828 1.791 0.00 0.00 +0.117 A ATOM 7 C LIG 1 1.662 -1.208 2.128 0.00 0.00 +0.063 A ATOM 8 N LIG 1 -1.439 -1.816 4.624 0.00 0.00 -0.232 NA ATOM 9 N LIG 1 1.954 -1.855 3.324 0.00 0.00 -0.232 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 2.859 -0.956 1.223 0.00 0.00 +0.043 C ATOM 11 C LIG 1 2.757 -1.733 -0.118 0.00 0.00 +0.032 C ATOM 12 C LIG 1 3.797 -1.250 -1.148 0.00 0.00 +0.077 C ATOM 13 N LIG 1 3.606 0.179 -1.319 0.00 0.00 -0.293 N ATOM 14 C LIG 1 4.138 0.809 -0.125 0.00 0.00 +0.077 C ATOM 15 C LIG 1 5.452 0.046 0.084 0.00 0.00 +0.024 C ATOM 16 C LIG 1 2.695 0.808 -2.137 0.00 0.00 +0.242 C ATOM 17 O LIG 1 2.362 1.986 -1.984 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 5.226 -1.319 -0.594 0.00 0.00 +0.024 C ATOM 19 C LIG 1 3.136 0.558 1.018 0.00 0.00 +0.032 C BRANCH 16 20 ATOM 20 C LIG 1 2.106 -0.013 -3.288 0.00 0.00 +0.251 C BRANCH 20 21 ATOM 21 O LIG 1 1.263 0.772 -4.123 0.00 0.00 -0.386 OA ATOM 22 H LIG 1 1.192 1.645 -3.684 0.00 0.00 +0.210 HD ENDBRANCH 20 21 ENDBRANCH 16 20 ENDBRANCH 7 10 BRANCH 4 23 ATOM 23 C LIG 1 -2.694 -0.210 1.522 0.00 0.00 +0.018 A ATOM 24 C LIG 1 -2.663 -0.745 0.240 0.00 0.00 +0.121 A ATOM 25 N LIG 1 -3.282 -0.199 -0.832 0.00 0.00 -0.254 NA ATOM 26 C LIG 1 -4.003 0.936 -0.642 0.00 0.00 +0.071 A ATOM 27 C LIG 1 -4.098 1.530 0.617 0.00 0.00 +0.029 A ATOM 28 C LIG 1 -3.441 0.950 1.705 0.00 0.00 +0.013 A BRANCH 26 29 ATOM 29 C LIG 1 -4.654 1.494 -1.846 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -5.885 2.175 -1.785 0.00 0.00 +0.010 A ATOM 31 C LIG 1 -6.483 2.702 -2.935 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.864 2.557 -4.173 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.652 1.881 -4.264 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -4.058 1.354 -3.113 0.00 0.00 +0.010 A ENDBRANCH 26 29 ENDBRANCH 4 23 BRANCH 1 35 ATOM 35 N LIG 1 1.305 -2.751 5.341 0.00 0.00 -0.340 N ATOM 36 H LIG 1 0.637 -2.596 6.090 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 2.275 -2.637 5.602 0.00 0.00 +0.144 HD ENDBRANCH 1 35 TORSDOF 6