REMARK Name = BDB004817 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.265 0.185 -0.769 0.00 0.00 +0.103 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.450 -1.090 -0.325 0.00 0.00 -0.025 A ATOM 3 C LIG 1 1.850 -1.173 -0.501 0.00 0.00 +0.028 A ATOM 4 C LIG 1 2.576 -2.297 -0.095 0.00 0.00 +0.034 A ATOM 5 C LIG 1 1.892 -3.360 0.501 0.00 0.00 +0.023 A ATOM 6 C LIG 1 0.512 -3.296 0.692 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -0.201 -2.168 0.285 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 3.973 -2.437 -0.246 0.00 0.00 -0.281 N ATOM 9 H LIG 1 4.353 -3.317 0.084 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 4.865 -1.521 -0.773 0.00 0.00 +0.251 C ATOM 11 O LIG 1 4.581 -0.405 -1.197 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 6.302 -1.938 -0.823 0.00 0.00 +0.072 A ATOM 13 C LIG 1 6.763 -3.164 -0.331 0.00 0.00 +0.138 A ATOM 14 F LIG 1 5.917 -4.048 0.222 0.00 0.00 -0.205 F ATOM 15 C LIG 1 8.110 -3.510 -0.397 0.00 0.00 +0.077 A ATOM 16 C LIG 1 9.012 -2.620 -0.962 0.00 0.00 +0.126 A ATOM 17 F LIG 1 10.308 -2.947 -1.030 0.00 0.00 -0.205 F ATOM 18 C LIG 1 8.588 -1.393 -1.459 0.00 0.00 +0.039 A ATOM 19 C LIG 1 7.235 -1.051 -1.389 0.00 0.00 +0.019 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 -1.592 -0.067 -1.357 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -1.754 0.565 -2.137 0.00 0.00 +0.148 HD BRANCH 20 25 ATOM 22 C LIG 1 -6.364 -0.854 -1.148 0.00 0.00 +0.063 A ATOM 23 C LIG 1 -5.147 -0.563 -0.496 0.00 0.00 +0.088 A ATOM 24 C LIG 1 -3.982 -0.490 -1.286 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -2.777 -0.177 -0.619 0.00 0.00 +0.130 A ATOM 26 N LIG 1 -2.732 -0.012 0.707 0.00 0.00 -0.220 NA ATOM 27 C LIG 1 -3.881 -0.104 1.371 0.00 0.00 +0.223 A ATOM 28 C LIG 1 -4.056 -0.738 -2.681 0.00 0.00 +0.013 A ATOM 29 C LIG 1 -5.263 -1.027 -3.304 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -5.080 -0.358 0.838 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -6.417 -1.077 -2.538 0.00 0.00 +0.015 A BRANCH 22 35 ATOM 32 N LIG 1 -7.684 -0.845 0.926 0.00 0.00 -0.325 N ATOM 33 H LIG 1 -8.570 -0.853 1.411 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 -6.831 -0.635 1.436 0.00 0.00 +0.145 HD ATOM 35 C LIG 1 -7.676 -0.947 -0.433 0.00 0.00 +0.244 C ATOM 36 O LIG 1 -8.731 -1.106 -1.039 0.00 0.00 -0.270 OA ENDBRANCH 22 35 ENDBRANCH 20 25 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 -0.162 1.307 0.283 0.00 0.00 +0.042 C BRANCH 37 38 ATOM 38 C LIG 1 -0.714 2.647 -0.223 0.00 0.00 +0.086 C BRANCH 38 39 ATOM 39 N LIG 1 -0.648 3.791 0.685 0.00 0.00 -0.302 NA ATOM 40 C LIG 1 0.685 4.155 1.152 0.00 0.00 +0.084 C ATOM 41 C LIG 1 0.379 5.207 2.208 0.00 0.00 +0.017 C ATOM 42 C LIG 1 -1.013 4.857 2.728 0.00 0.00 +0.017 C ATOM 43 C LIG 1 -1.470 3.673 1.885 0.00 0.00 +0.084 C ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 9