REMARK Name = BDB035775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.420 0.751 -0.493 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.815 1.405 -0.565 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.125 2.482 -1.039 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.798 0.536 0.096 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.153 0.743 0.274 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.888 -0.244 0.949 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.232 -1.411 1.407 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.848 -1.605 1.219 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.148 -0.604 0.551 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.302 -0.526 0.198 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.077 0.882 -1.364 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.839 0.476 -0.831 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.653 1.207 -1.037 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.736 2.380 -1.792 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.950 2.803 -2.337 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.109 2.061 -2.128 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.396 0.131 -1.139 0.00 0.00 +0.118 C BRANCH 17 20 ATOM 18 C LIG 1 -4.922 1.971 1.476 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -6.158 1.689 0.796 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.392 0.912 -0.316 0.00 0.00 +0.143 A ATOM 21 N LIG 1 -7.684 0.973 -0.590 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -8.296 1.766 0.344 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -7.370 2.193 1.166 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.245 -1.360 -0.714 0.00 0.00 +0.080 C ATOM 25 C LIG 1 -6.582 -2.183 -0.619 0.00 0.00 +0.036 C ATOM 26 C LIG 1 -5.963 -2.938 0.571 0.00 0.00 +0.006 C ATOM 27 C LIG 1 -5.064 -1.710 0.807 0.00 0.00 +0.036 C BRANCH 24 28 ATOM 28 O LIG 1 -4.264 -2.026 -1.568 0.00 0.00 -0.388 OA ATOM 29 H LIG 1 -4.643 -1.994 -2.465 0.00 0.00 +0.210 HD ENDBRANCH 24 28 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.151 -2.849 1.702 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.687 -3.611 0.675 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.942 -3.663 2.452 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.066 -2.563 2.473 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.378 -0.071 1.145 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.088 -0.394 -0.090 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.900 -1.363 -0.341 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.518 -0.061 -0.024 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.063 -0.139 -1.482 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.761 1.213 -1.224 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.705 1.479 -0.131 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.312 -0.833 1.013 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9