REMARK Name = BDB042080 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.532 -0.822 -3.518 0.00 0.00 +0.029 C ATOM 2 C LIG 1 -0.948 -0.781 -3.061 0.00 0.00 +0.030 C ATOM 3 N LIG 1 -1.505 -2.046 -2.554 0.00 0.00 -0.284 NA ATOM 4 C LIG 1 -2.716 -1.964 -1.733 0.00 0.00 +0.101 C ATOM 5 C LIG 1 -3.236 -0.543 -1.430 0.00 0.00 +0.100 C ATOM 6 N LIG 1 -2.147 0.337 -1.013 0.00 0.00 -0.295 NA ATOM 7 C LIG 1 -1.078 0.410 -2.033 0.00 0.00 +0.106 C ATOM 8 C LIG 1 -1.757 -0.454 -4.346 0.00 0.00 +0.029 C ENDROOT BRANCH 3 9 ATOM 9 C LIG 1 -0.685 -3.259 -2.425 0.00 0.00 +0.118 C BRANCH 9 10 ATOM 10 C LIG 1 0.367 -3.265 -1.304 0.00 0.00 -0.026 A ATOM 11 C LIG 1 0.298 -2.450 -0.164 0.00 0.00 +0.005 A ATOM 12 C LIG 1 1.291 -2.501 0.819 0.00 0.00 +0.000 A ATOM 13 C LIG 1 2.368 -3.372 0.683 0.00 0.00 +0.000 A ATOM 14 C LIG 1 2.454 -4.196 -0.435 0.00 0.00 +0.000 A ATOM 15 C LIG 1 1.464 -4.143 -1.418 0.00 0.00 +0.005 A ENDBRANCH 9 10 BRANCH 9 16 ATOM 16 C LIG 1 -1.540 -4.538 -2.482 0.00 0.00 -0.026 A ATOM 17 C LIG 1 -2.050 -4.965 -3.722 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -2.844 -6.109 -3.815 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -3.148 -6.841 -2.670 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -2.664 -6.427 -1.431 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -1.870 -5.282 -1.336 0.00 0.00 +0.005 A ENDBRANCH 9 16 ENDBRANCH 3 9 BRANCH 6 22 ATOM 22 C LIG 1 -2.630 1.656 -0.598 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 C LIG 1 -1.576 2.452 0.147 0.00 0.00 -0.030 A ATOM 24 C LIG 1 -1.001 1.932 1.324 0.00 0.00 +0.011 A ATOM 25 C LIG 1 -0.036 2.677 1.982 0.00 0.00 -0.015 A ATOM 26 C LIG 1 0.741 2.351 3.211 0.00 0.00 +0.144 C ATOM 27 N LIG 1 1.520 3.562 3.425 0.00 0.00 -0.282 N ATOM 28 C LIG 1 1.388 4.457 2.374 0.00 0.00 +0.251 C ATOM 29 O LIG 1 2.019 5.476 2.185 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 0.356 3.918 1.486 0.00 0.00 +0.077 A ATOM 31 C LIG 1 -0.190 4.450 0.340 0.00 0.00 +0.136 A ATOM 32 F LIG 1 0.185 5.644 -0.134 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -1.165 3.716 -0.334 0.00 0.00 +0.044 A BRANCH 27 34 ATOM 34 C LIG 1 2.551 3.618 4.457 0.00 0.00 +0.163 C ATOM 35 C LIG 1 3.925 3.334 3.850 0.00 0.00 +0.240 C ATOM 36 O LIG 1 4.186 2.268 3.290 0.00 0.00 -0.273 OA ATOM 37 N LIG 1 4.859 4.335 3.914 0.00 0.00 -0.255 N ATOM 38 H LIG 1 5.759 4.126 3.506 0.00 0.00 +0.158 HD ATOM 39 C LIG 1 4.706 5.619 4.366 0.00 0.00 +0.219 C ATOM 40 O LIG 1 5.651 6.404 4.343 0.00 0.00 -0.275 OA ATOM 41 C LIG 1 3.341 6.024 4.860 0.00 0.00 +0.098 C ATOM 42 C LIG 1 2.520 4.849 5.360 0.00 0.00 +0.041 C ENDBRANCH 27 34 ENDBRANCH 22 23 ENDBRANCH 6 22 TORSDOF 6