REMARK Name = BDB051538 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.107 2.138 3.417 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -1.907 1.042 2.561 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -0.609 0.747 2.138 0.00 0.00 +0.062 A ATOM 4 C LIG 1 0.499 1.526 2.564 0.00 0.00 +0.044 A ATOM 5 C LIG 1 0.282 2.618 3.412 0.00 0.00 +0.080 A ATOM 6 N LIG 1 1.269 3.408 3.839 0.00 0.00 -0.235 NA ATOM 7 C LIG 1 2.502 3.120 3.411 0.00 0.00 +0.223 A ATOM 8 N LIG 1 2.837 2.112 2.603 0.00 0.00 -0.220 NA ATOM 9 C LIG 1 1.842 1.305 2.190 0.00 0.00 +0.134 A ATOM 10 C LIG 1 -1.011 2.904 3.827 0.00 0.00 +0.078 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -3.658 3.500 4.628 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -3.406 2.381 3.790 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 9 13 ATOM 13 N LIG 1 2.151 0.196 1.356 0.00 0.00 -0.299 N ATOM 14 H LIG 1 1.764 -0.648 1.768 0.00 0.00 +0.154 HD BRANCH 13 15 ATOM 15 C LIG 1 3.355 -0.071 0.665 0.00 0.00 +0.036 A ATOM 16 C LIG 1 4.184 0.941 0.171 0.00 0.00 +0.069 A ATOM 17 C LIG 1 5.342 0.639 -0.563 0.00 0.00 +0.128 A ATOM 18 C LIG 1 5.703 -0.687 -0.838 0.00 0.00 +0.049 A ATOM 19 C LIG 1 4.836 -1.695 -0.385 0.00 0.00 +0.016 A ATOM 20 C LIG 1 3.679 -1.393 0.345 0.00 0.00 +0.024 A BRANCH 18 21 ATOM 21 C LIG 1 6.904 -1.104 -1.589 0.00 0.00 +0.113 A ATOM 22 S LIG 1 8.406 -0.274 -1.445 0.00 0.00 -0.067 S ATOM 23 C LIG 1 9.151 -1.401 -2.507 0.00 0.00 +0.040 A ATOM 24 C LIG 1 8.213 -2.364 -2.874 0.00 0.00 +0.079 A ATOM 25 C LIG 1 8.617 -3.410 -3.730 0.00 0.00 +0.029 A ATOM 26 C LIG 1 9.935 -3.460 -4.197 0.00 0.00 +0.002 A ATOM 27 C LIG 1 10.850 -2.478 -3.827 0.00 0.00 +0.001 A ATOM 28 C LIG 1 10.476 -1.435 -2.974 0.00 0.00 +0.017 A ATOM 29 N LIG 1 6.948 -2.189 -2.341 0.00 0.00 -0.239 NA ENDBRANCH 18 21 BRANCH 17 30 ATOM 30 O LIG 1 6.098 1.682 -1.033 0.00 0.00 -0.506 OA ATOM 31 H LIG 1 5.680 2.518 -0.769 0.00 0.00 +0.292 HD ENDBRANCH 17 30 ENDBRANCH 13 15 ENDBRANCH 9 13 BRANCH 2 32 ATOM 32 O LIG 1 -3.032 0.351 2.201 0.00 0.00 -0.488 OA BRANCH 32 33 ATOM 33 C LIG 1 -2.933 -0.796 1.361 0.00 0.00 +0.230 C BRANCH 33 34 ATOM 34 C LIG 1 -2.921 -0.427 -0.125 0.00 0.00 +0.056 C BRANCH 34 35 ATOM 35 C LIG 1 -4.143 0.395 -0.559 0.00 0.00 +0.088 C BRANCH 35 36 ATOM 36 N LIG 1 -5.414 -0.321 -0.390 0.00 0.00 -0.300 NA ATOM 37 C LIG 1 -6.534 0.645 -0.336 0.00 0.00 +0.100 C ATOM 38 C LIG 1 -7.894 -0.017 -0.634 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -7.980 -0.501 -2.027 0.00 0.00 -0.303 NA ATOM 40 C LIG 1 -9.023 -1.515 -2.151 0.00 0.00 +0.105 C ATOM 41 C LIG 1 -6.672 -0.976 -2.518 0.00 0.00 +0.099 C ATOM 42 C LIG 1 -5.651 -1.356 -1.417 0.00 0.00 +0.100 C ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 10