REMARK Name = BDB064903 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.983 -1.568 -1.511 0.00 0.00 +0.045 A ATOM 2 C LIG 1 2.064 -0.661 -1.503 0.00 0.00 +0.140 A ATOM 3 O LIG 1 1.924 0.426 -0.680 0.00 0.00 -0.454 OA ATOM 4 C LIG 1 2.901 1.384 -0.631 0.00 0.00 +0.148 A ATOM 5 C LIG 1 2.685 2.453 0.256 0.00 0.00 +0.122 A ATOM 6 C LIG 1 3.614 3.493 0.375 0.00 0.00 +0.136 A ATOM 7 C LIG 1 4.767 3.458 -0.405 0.00 0.00 +0.047 A ATOM 8 C LIG 1 4.996 2.381 -1.268 0.00 0.00 +0.012 A ATOM 9 C LIG 1 4.073 1.323 -1.391 0.00 0.00 +0.006 A ATOM 10 C LIG 1 4.340 0.135 -2.314 0.00 0.00 +0.022 C ATOM 11 C LIG 1 5.644 -0.561 -1.861 0.00 0.00 +0.021 C ATOM 12 C LIG 1 4.503 0.657 -3.763 0.00 0.00 +0.021 C ATOM 13 C LIG 1 3.200 -0.882 -2.287 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.249 -2.059 -3.059 0.00 0.00 +0.012 A ATOM 15 C LIG 1 2.200 -2.982 -3.051 0.00 0.00 +0.046 A ATOM 16 C LIG 1 1.072 -2.746 -2.271 0.00 0.00 +0.127 A ENDROOT BRANCH 5 17 ATOM 17 C LIG 1 1.452 2.478 1.060 0.00 0.00 +0.270 C ATOM 18 N LIG 1 1.554 2.328 2.454 0.00 0.00 -0.186 N ATOM 19 H LIG 1 0.673 2.447 2.961 0.00 0.00 +0.176 HD ATOM 20 O LIG 1 0.359 2.657 0.540 0.00 0.00 -0.268 OA BRANCH 18 21 ATOM 21 S LIG 1 2.658 1.431 3.314 0.00 0.00 +0.043 S ATOM 22 O LIG 1 2.479 1.782 4.705 0.00 0.00 -0.155 OA ATOM 23 O LIG 1 3.961 1.498 2.692 0.00 0.00 -0.155 OA ATOM 24 C LIG 1 2.020 -0.214 3.088 0.00 0.00 +0.218 C ENDBRANCH 18 21 ENDBRANCH 5 17 BRANCH 6 25 ATOM 25 O LIG 1 3.318 4.537 1.212 0.00 0.00 -0.494 OA ATOM 26 C LIG 1 4.425 5.000 1.984 0.00 0.00 +0.277 C ENDBRANCH 6 25 BRANCH 16 27 ATOM 27 O LIG 1 -0.011 -3.587 -2.227 0.00 0.00 -0.495 OA ATOM 28 C LIG 1 0.290 -4.975 -2.354 0.00 0.00 +0.277 C ENDBRANCH 16 27 BRANCH 1 29 ATOM 29 C LIG 1 -0.260 -1.308 -0.682 0.00 0.00 +0.138 C BRANCH 29 32 ATOM 30 C LIG 1 -2.822 -1.850 0.690 0.00 0.00 +0.201 C ATOM 31 N LIG 1 -1.536 -2.247 1.242 0.00 0.00 -0.267 N ATOM 32 C LIG 1 -0.315 -2.137 0.599 0.00 0.00 +0.222 C ATOM 33 O LIG 1 0.695 -2.654 1.084 0.00 0.00 -0.275 OA ATOM 34 C LIG 1 -1.686 -3.193 2.347 0.00 0.00 +0.161 C ATOM 35 C LIG 1 -1.082 -2.710 3.654 0.00 0.00 +0.038 C ATOM 36 C LIG 1 -3.198 -3.312 2.470 0.00 0.00 +0.237 C ATOM 37 O LIG 1 -3.789 -4.053 3.242 0.00 0.00 -0.274 OA ATOM 38 N LIG 1 -3.789 -2.438 1.575 0.00 0.00 -0.280 N ATOM 39 C LIG 1 -5.200 -2.456 1.268 0.00 0.00 +0.134 C BRANCH 30 41 ATOM 40 C LIG 1 -3.634 0.245 -0.534 0.00 0.00 +0.169 A ATOM 41 C LIG 1 -2.994 -0.340 0.591 0.00 0.00 +0.038 A ATOM 42 C LIG 1 -2.533 0.489 1.629 0.00 0.00 +0.043 A ATOM 43 C LIG 1 -2.668 1.873 1.524 0.00 0.00 +0.130 A ATOM 44 C LIG 1 -3.276 2.456 0.411 0.00 0.00 +0.082 A ATOM 45 C LIG 1 -3.756 1.651 -0.630 0.00 0.00 +0.164 A BRANCH 43 46 ATOM 46 N LIG 1 -2.141 2.728 2.588 0.00 0.00 +0.057 N ATOM 47 O LIG 1 -1.209 2.279 3.277 0.00 0.00 -0.126 OA ATOM 48 O LIG 1 -2.658 3.842 2.740 0.00 0.00 -0.126 OA ENDBRANCH 43 46 BRANCH 45 49 ATOM 49 O LIG 1 -4.340 2.173 -1.752 0.00 0.00 -0.491 OA ATOM 50 C LIG 1 -4.308 3.584 -1.948 0.00 0.00 +0.277 C ENDBRANCH 45 49 BRANCH 40 51 ATOM 51 O LIG 1 -4.045 -0.681 -1.458 0.00 0.00 -0.488 OA BRANCH 51 53 ATOM 52 C LIG 1 -6.420 -0.226 -1.834 0.00 0.00 +0.048 C ATOM 53 C LIG 1 -5.036 -0.387 -2.440 0.00 0.00 +0.226 C ENDBRANCH 51 53 ENDBRANCH 40 51 ENDBRANCH 30 41 ENDBRANCH 29 32 ENDBRANCH 1 29 TORSDOF 11