REMARK Name = BDB026923 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.977 -1.948 -0.242 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.490 -3.147 -1.042 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.448 -4.422 -0.457 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.004 -5.526 -1.187 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.394 -5.370 -2.514 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.341 -4.114 -3.114 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.103 -3.010 -2.386 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.027 -0.752 -0.286 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.324 0.341 -0.745 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.944 1.371 0.391 0.00 0.00 -0.013 A ATOM 11 C LIG 1 4.794 0.107 0.985 0.00 0.00 +0.034 A ATOM 12 C LIG 1 3.552 -0.538 0.876 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.466 0.015 0.200 0.00 0.00 +0.010 A ATOM 14 C LIG 1 1.374 -0.917 0.285 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.839 -1.989 1.027 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.635 1.282 -0.397 0.00 0.00 +0.011 A ATOM 17 N LIG 1 3.146 -1.756 1.364 0.00 0.00 -0.360 N ATOM 18 H LIG 1 3.733 -2.383 1.898 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.867 1.943 -0.294 0.00 0.00 +0.009 A BRANCH 10 24 ATOM 20 C LIG 1 8.388 4.935 0.723 0.00 0.00 +0.172 C ATOM 21 N LIG 1 7.725 3.656 0.641 0.00 0.00 -0.274 N ATOM 22 N LIG 1 8.456 2.528 0.680 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.539 1.561 0.587 0.00 0.00 +0.142 A ATOM 24 C LIG 1 6.220 2.063 0.489 0.00 0.00 +0.020 A ATOM 25 C LIG 1 6.384 3.432 0.530 0.00 0.00 +0.116 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.297 -1.493 -0.754 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -2.399 -0.504 -0.509 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.414 -2.264 -0.208 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.766 -1.749 -0.731 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -5.154 -0.399 -0.170 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -5.782 -0.306 1.081 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.123 0.940 1.609 0.00 0.00 +0.029 A ATOM 33 C LIG 1 -5.836 2.098 0.882 0.00 0.00 +0.105 A ATOM 34 C LIG 1 -5.196 2.024 -0.356 0.00 0.00 +0.029 A ATOM 35 C LIG 1 -4.861 0.775 -0.881 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 S LIG 1 -6.271 3.677 1.560 0.00 0.00 +0.056 S ATOM 37 O LIG 1 -6.303 3.567 2.998 0.00 0.00 -0.153 OA ATOM 38 O LIG 1 -5.516 4.700 0.874 0.00 0.00 -0.153 OA BRANCH 36 39 ATOM 39 N LIG 1 -7.857 3.846 1.018 0.00 0.00 -0.204 NA ATOM 40 H LIG 1 -7.900 4.641 0.378 0.00 0.00 +0.144 HD ATOM 41 H LIG 1 -8.226 2.997 0.591 0.00 0.00 +0.144 HD ENDBRANCH 36 39 ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10