REMARK Name = BDB011008 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.682 1.667 0.071 0.00 0.00 +0.142 A ATOM 2 N LIG 1 -2.342 2.822 0.335 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -3.617 2.806 0.790 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.283 1.592 0.959 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -3.670 0.366 0.658 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -2.337 0.447 0.210 0.00 0.00 +0.051 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 4.109 0.122 -1.542 0.00 0.00 -0.033 A ATOM 8 C LIG 1 2.838 -0.117 -0.998 0.00 0.00 +0.020 A ATOM 9 C LIG 1 1.903 0.922 -0.906 0.00 0.00 +0.066 A ATOM 10 C LIG 1 2.218 2.205 -1.345 0.00 0.00 +0.078 A ATOM 11 N LIG 1 1.312 3.265 -1.258 0.00 0.00 -0.237 NA ATOM 12 C LIG 1 0.129 3.005 -0.801 0.00 0.00 +0.209 A ATOM 13 N LIG 1 -0.325 1.770 -0.385 0.00 0.00 -0.251 N ATOM 14 C LIG 1 3.482 2.443 -1.887 0.00 0.00 +0.029 A ATOM 15 C LIG 1 0.560 0.694 -0.331 0.00 0.00 +0.267 A ATOM 16 O LIG 1 0.348 -0.399 0.191 0.00 0.00 -0.267 OA ATOM 17 C LIG 1 4.421 1.413 -1.988 0.00 0.00 +0.007 A BRANCH 7 18 ATOM 18 C LIG 1 5.123 -1.000 -1.642 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 C LIG 1 8.425 0.618 0.990 0.00 0.00 +0.009 C ATOM 20 C LIG 1 7.700 -0.322 0.027 0.00 0.00 +0.000 C ATOM 21 C LIG 1 6.262 -0.589 0.506 0.00 0.00 +0.088 C ATOM 22 N LIG 1 5.515 -1.540 -0.332 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 6.253 -2.804 -0.461 0.00 0.00 +0.085 C ATOM 24 C LIG 1 7.686 -2.637 -0.972 0.00 0.00 +0.016 C ATOM 25 C LIG 1 8.468 -1.641 -0.121 0.00 0.00 +0.006 C ENDBRANCH 18 22 ENDBRANCH 7 18 ENDBRANCH 1 13 BRANCH 5 26 ATOM 26 C LIG 1 -4.414 -1.054 0.792 0.00 0.00 +0.056 C ATOM 27 C LIG 1 -3.692 -2.103 1.716 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -5.048 -2.484 2.342 0.00 0.00 -0.012 C ATOM 29 C LIG 1 -5.677 -3.787 1.874 0.00 0.00 +0.007 C ATOM 30 C LIG 1 -5.637 -1.183 1.762 0.00 0.00 +0.022 C BRANCH 26 31 ATOM 31 C LIG 1 -4.716 -1.622 -0.663 0.00 0.00 +0.144 A ATOM 32 N LIG 1 -5.621 -1.161 -1.583 0.00 0.00 -0.320 N ATOM 33 C LIG 1 -6.524 -0.049 -1.470 0.00 0.00 +0.151 C ATOM 34 C LIG 1 -5.494 -1.967 -2.672 0.00 0.00 +0.224 A ATOM 35 N LIG 1 -4.562 -2.864 -2.450 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -4.065 -2.642 -1.189 0.00 0.00 -0.134 NA ENDBRANCH 26 31 ENDBRANCH 5 26 BRANCH 3 37 ATOM 37 C LIG 1 -4.247 4.154 1.086 0.00 0.00 +0.038 C ATOM 38 C LIG 1 -5.245 4.346 2.202 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -5.696 4.440 0.772 0.00 0.00 +0.010 C ENDBRANCH 3 37 TORSDOF 6