REMARK Name = BDB039484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.891 0.112 -0.427 0.00 0.00 +0.074 A ATOM 2 N LIG 1 -1.705 -0.853 -0.915 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -3.002 -0.705 -0.588 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -3.566 0.318 0.169 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -4.964 0.061 0.230 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -5.212 -1.099 -0.471 0.00 0.00 +0.088 A ATOM 7 C LIG 1 -2.710 1.321 0.668 0.00 0.00 -0.021 A ATOM 8 N LIG 1 -4.011 -1.563 -0.952 0.00 0.00 -0.328 N ATOM 9 C LIG 1 -1.346 1.187 0.343 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.182 -0.011 -0.396 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.666 -0.478 -1.597 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.279 -0.884 -2.565 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.206 -0.390 -1.494 0.00 0.00 +0.042 A ATOM 14 C LIG 1 2.887 0.060 -0.215 0.00 0.00 -0.017 A ATOM 15 C LIG 1 1.562 0.231 0.158 0.00 0.00 +0.016 A ATOM 16 C LIG 1 0.539 -0.051 -0.774 0.00 0.00 +0.001 A ATOM 17 C LIG 1 0.909 -0.517 -2.065 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.246 -0.689 -2.437 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.134 0.262 0.580 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 9.771 -0.582 2.538 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 8.887 -0.472 1.694 0.00 0.00 +0.219 C ATOM 22 N LIG 1 8.081 -1.533 1.370 0.00 0.00 -0.255 N ATOM 23 H LIG 1 8.226 -2.358 1.938 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 6.831 -1.444 0.799 0.00 0.00 +0.240 C ATOM 25 O LIG 1 5.999 -2.328 0.988 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.586 -0.180 -0.043 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.149 1.027 0.700 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.635 0.819 0.950 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 7 29 ATOM 29 C LIG 1 -3.186 2.491 1.498 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 N LIG 1 -3.893 3.499 0.707 0.00 0.00 -0.298 NA ATOM 31 C LIG 1 -4.480 4.543 1.547 0.00 0.00 +0.085 C ATOM 32 C LIG 1 -4.844 5.623 0.542 0.00 0.00 +0.017 C ATOM 33 C LIG 1 -3.867 5.435 -0.613 0.00 0.00 +0.017 C ATOM 34 C LIG 1 -3.036 4.215 -0.240 0.00 0.00 +0.085 C ENDBRANCH 29 30 ENDBRANCH 7 29 BRANCH 8 35 ATOM 35 C LIG 1 -3.838 -2.750 -1.774 0.00 0.00 +0.158 C BRANCH 35 36 ATOM 36 C LIG 1 -3.696 -3.993 -0.931 0.00 0.00 -0.028 A ATOM 37 C LIG 1 -2.459 -4.325 -0.360 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -2.325 -5.471 0.426 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -3.426 -6.294 0.652 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -4.662 -5.972 0.096 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -4.799 -4.827 -0.691 0.00 0.00 +0.005 A ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 6