REMARK Name = BDB028134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.130 0.749 -2.898 0.00 0.00 +0.046 C ATOM 2 C LIG 1 2.299 1.353 -1.534 0.00 0.00 -0.017 A ATOM 3 C LIG 1 1.745 2.635 -1.288 0.00 0.00 +0.116 A ATOM 4 N LIG 1 1.091 3.487 -2.145 0.00 0.00 -0.129 NA ATOM 5 N LIG 1 0.723 4.563 -1.466 0.00 0.00 -0.065 NA ATOM 6 N LIG 1 1.091 4.374 -0.185 0.00 0.00 -0.244 N ATOM 7 C LIG 1 0.689 5.339 0.814 0.00 0.00 +0.146 C ATOM 8 C LIG 1 -0.820 5.341 1.099 0.00 0.00 +0.023 C ATOM 9 C LIG 1 -1.302 4.159 1.956 0.00 0.00 +0.002 C ATOM 10 C LIG 1 -2.345 3.264 1.270 0.00 0.00 +0.005 C ATOM 11 C LIG 1 -1.734 2.408 0.164 0.00 0.00 +0.035 C ATOM 12 C LIG 1 -2.686 1.429 -0.466 0.00 0.00 -0.042 A ATOM 13 C LIG 1 -2.940 0.174 0.083 0.00 0.00 -0.021 A ATOM 14 C LIG 1 -2.443 -0.396 1.375 0.00 0.00 +0.069 C ATOM 15 C LIG 1 -3.249 -1.705 1.444 0.00 0.00 +0.164 C ATOM 16 N LIG 1 -3.735 -2.031 0.073 0.00 0.00 -0.321 N ATOM 17 C LIG 1 -4.953 -2.821 -0.031 0.00 0.00 +0.130 C ATOM 18 C LIG 1 -2.479 -2.869 2.089 0.00 0.00 +0.237 C ATOM 19 N LIG 1 -1.374 -3.438 1.470 0.00 0.00 -0.295 N ATOM 20 C LIG 1 -0.804 -3.033 0.178 0.00 0.00 +0.143 C ATOM 21 C LIG 1 0.705 -2.962 0.276 0.00 0.00 -0.027 A ATOM 22 C LIG 1 1.364 -4.028 0.913 0.00 0.00 -0.041 A ATOM 23 C LIG 1 2.750 -4.020 1.032 0.00 0.00 +0.004 A ATOM 24 C LIG 1 3.476 -2.927 0.556 0.00 0.00 +0.004 A ATOM 25 C LIG 1 2.837 -1.833 -0.065 0.00 0.00 -0.039 A ATOM 26 C LIG 1 3.695 -0.646 -0.522 0.00 0.00 +0.060 C ATOM 27 C LIG 1 0.506 -5.139 1.456 0.00 0.00 +0.054 C ATOM 28 C LIG 1 1.442 -1.878 -0.219 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -0.712 -4.544 2.176 0.00 0.00 +0.113 C ATOM 30 O LIG 1 -2.859 -3.286 3.193 0.00 0.00 -0.274 OA ATOM 31 C LIG 1 -3.716 -0.785 -0.587 0.00 0.00 +0.034 A ATOM 32 C LIG 1 -4.298 -0.477 -1.806 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -4.104 0.795 -2.348 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -3.301 1.735 -1.689 0.00 0.00 +0.004 A ATOM 35 C LIG 1 1.786 3.205 -0.023 0.00 0.00 +0.089 A ATOM 36 C LIG 1 2.392 2.587 1.065 0.00 0.00 +0.030 A ATOM 37 C LIG 1 2.990 1.347 0.815 0.00 0.00 +0.007 A ATOM 38 C LIG 1 2.980 0.717 -0.457 0.00 0.00 -0.034 A ENDROOT BRANCH 26 39 ATOM 39 C LIG 1 4.499 -1.003 -1.782 0.00 0.00 +0.133 C BRANCH 39 40 ATOM 40 C LIG 1 5.620 -0.024 -2.023 0.00 0.00 +0.306 C ATOM 41 O LIG 1 5.574 0.893 -2.827 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 6.714 -0.257 -1.262 0.00 0.00 -0.481 OA ATOM 43 H LIG 1 6.654 -1.041 -0.686 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 26 39 TORSDOF 3