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Copy pathCabergoline_gas_cluster1.pdb
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Cabergoline_gas_cluster1.pdb
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CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ATOM 1 H MOL M 0 1.546 -0.786 -3.443 0.00 0.00 MOL
ATOM 2 C MOL M 0 0.997 -0.183 -2.715 0.00 0.00 MOL
ATOM 3 C1 MOL M 0 0.457 1.000 -3.638 0.00 0.00 MOL
ATOM 4 C2 MOL M 0 1.530 1.968 -4.024 0.00 0.00 MOL
ATOM 5 C3 MOL M 0 1.511 3.048 -4.843 0.00 0.00 MOL
ATOM 6 N MOL M 0 2.730 3.774 -4.674 0.00 0.00 MOL
ATOM 7 C4 MOL M 0 3.410 3.164 -3.740 0.00 0.00 MOL
ATOM 8 C5 MOL M 0 4.610 3.514 -3.160 0.00 0.00 MOL
ATOM 9 C6 MOL M 0 5.101 2.650 -2.087 0.00 0.00 MOL
ATOM 10 C7 MOL M 0 4.321 1.596 -1.517 0.00 0.00 MOL
ATOM 11 C8 MOL M 0 3.143 1.349 -2.228 0.00 0.00 MOL
ATOM 12 C9 MOL M 0 2.786 2.065 -3.336 0.00 0.00 MOL
ATOM 13 C10 MOL M 0 2.008 0.412 -1.615 0.00 0.00 MOL
ATOM 14 H1 MOL M 0 2.458 -0.379 -1.012 0.00 0.00 MOL
ATOM 15 C11 MOL M 0 1.144 1.172 -0.621 0.00 0.00 MOL
ATOM 16 C12 MOL M 0 -0.041 0.398 -0.027 0.00 0.00 MOL
ATOM 17 H2 MOL M 0 0.410 -0.551 0.272 0.00 0.00 MOL
ATOM 18 C13 MOL M 0 -0.944 -0.083 -1.158 0.00 0.00 MOL
ATOM 19 N1 MOL M 0 -0.206 -0.902 -2.062 0.00 0.00 MOL
ATOM 20 C14 MOL M 0 -1.129 -1.571 -3.058 0.00 0.00 MOL
ATOM 21 C15 MOL M 0 -2.156 -2.391 -2.310 0.00 0.00 MOL
ATOM 22 C16 MOL M 0 -3.271 -2.827 -2.867 0.00 0.00 MOL
ATOM 23 C17 MOL M 0 -0.670 1.171 1.108 0.00 0.00 MOL
ATOM 24 O MOL M 0 -0.728 2.373 0.967 0.00 0.00 MOL
ATOM 25 N2 MOL M 0 -1.071 0.560 2.242 0.00 0.00 MOL
ATOM 26 C18 MOL M 0 -1.188 -0.861 2.310 0.00 0.00 MOL
ATOM 27 C19 MOL M 0 -0.118 -1.576 3.172 0.00 0.00 MOL
ATOM 28 C20 MOL M 0 -0.492 -3.026 3.478 0.00 0.00 MOL
ATOM 29 N3 MOL M 0 -0.541 -3.751 2.136 0.00 0.00 MOL
ATOM 30 C21 MOL M 0 -1.537 -4.868 2.248 0.00 0.00 MOL
ATOM 31 C22 MOL M 0 0.756 -4.323 1.816 0.00 0.00 MOL
ATOM 32 C23 MOL M 0 -1.488 1.238 3.333 0.00 0.00 MOL
ATOM 33 O1 MOL M 0 -1.971 0.678 4.288 0.00 0.00 MOL
ATOM 34 N4 MOL M 0 -1.315 2.536 3.467 0.00 0.00 MOL
ATOM 35 C24 MOL M 0 -1.553 3.357 4.563 0.00 0.00 MOL
ATOM 36 C25 MOL M 0 -0.930 4.769 4.243 0.00 0.00 MOL
ATOM 37 H3 MOL M 0 -0.371 1.533 -3.165 0.00 0.00 MOL
ATOM 38 H4 MOL M 0 -0.017 0.625 -4.548 0.00 0.00 MOL
ATOM 39 H5 MOL M 0 0.692 3.442 -5.431 0.00 0.00 MOL
ATOM 40 H6 MOL M 0 3.026 4.679 -5.013 0.00 0.00 MOL
ATOM 41 H7 MOL M 0 5.167 4.392 -3.477 0.00 0.00 MOL
ATOM 42 H8 MOL M 0 6.102 2.775 -1.682 0.00 0.00 MOL
ATOM 43 H9 MOL M 0 4.708 1.045 -0.664 0.00 0.00 MOL
ATOM 44 H10 MOL M 0 1.830 1.402 0.197 0.00 0.00 MOL
ATOM 45 H11 MOL M 0 0.688 2.014 -1.147 0.00 0.00 MOL
ATOM 46 H12 MOL M 0 -1.771 -0.638 -0.709 0.00 0.00 MOL
ATOM 47 H13 MOL M 0 -1.340 0.869 -1.521 0.00 0.00 MOL
ATOM 48 H14 MOL M 0 -1.703 -0.867 -3.666 0.00 0.00 MOL
ATOM 49 H15 MOL M 0 -0.480 -2.279 -3.580 0.00 0.00 MOL
ATOM 50 H16 MOL M 0 -1.798 -2.735 -1.343 0.00 0.00 MOL
ATOM 51 H17 MOL M 0 -3.937 -3.424 -2.249 0.00 0.00 MOL
ATOM 52 H18 MOL M 0 -3.560 -2.472 -3.853 0.00 0.00 MOL
ATOM 53 H19 MOL M 0 -2.210 -1.010 2.668 0.00 0.00 MOL
ATOM 54 H20 MOL M 0 -1.192 -1.380 1.348 0.00 0.00 MOL
ATOM 55 H21 MOL M 0 0.822 -1.574 2.617 0.00 0.00 MOL
ATOM 56 H22 MOL M 0 0.026 -1.065 4.126 0.00 0.00 MOL
ATOM 57 H23 MOL M 0 0.288 -3.531 4.053 0.00 0.00 MOL
ATOM 58 H24 MOL M 0 -1.437 -3.060 4.025 0.00 0.00 MOL
ATOM 59 H25 MOL M 0 -0.994 -5.565 2.891 0.00 0.00 MOL
ATOM 60 H26 MOL M 0 -2.472 -4.505 2.683 0.00 0.00 MOL
ATOM 61 H27 MOL M 0 -1.711 -5.263 1.243 0.00 0.00 MOL
ATOM 62 H28 MOL M 0 0.753 -4.829 0.847 0.00 0.00 MOL
ATOM 63 H29 MOL M 0 1.522 -3.566 1.628 0.00 0.00 MOL
ATOM 64 H30 MOL M 0 1.075 -4.962 2.643 0.00 0.00 MOL
ATOM 65 H31 MOL M 0 -0.814 2.892 2.667 0.00 0.00 MOL
ATOM 66 H32 MOL M 0 -2.616 3.542 4.742 0.00 0.00 MOL
ATOM 67 H33 MOL M 0 -1.091 3.022 5.495 0.00 0.00 MOL
ATOM 68 H34 MOL M 0 0.155 4.644 4.258 0.00 0.00 MOL
ATOM 69 H35 MOL M 0 -1.174 5.203 3.271 0.00 0.00 MOL
ATOM 70 H36 MOL M 0 -1.194 5.526 4.984 0.00 0.00 MOL
END