REMARK Name = BDB041431 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.930 0.122 1.960 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.549 -0.944 2.816 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.793 -1.254 3.058 0.00 0.00 -0.010 A ATOM 4 C LIG 1 0.928 -2.368 3.954 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.280 -2.873 4.367 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.793 -0.479 2.421 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.458 0.572 1.556 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -1.587 -2.021 3.690 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.106 0.863 1.351 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.373 0.482 1.661 0.00 0.00 +0.121 C BRANCH 10 13 ATOM 11 C LIG 1 -5.339 0.612 0.143 0.00 0.00 +0.007 C ATOM 12 C LIG 1 -4.442 -0.492 0.760 0.00 0.00 +0.089 C ATOM 13 N LIG 1 -2.986 -0.397 0.664 0.00 0.00 -0.292 NA ATOM 14 C LIG 1 -2.425 -0.214 -0.686 0.00 0.00 +0.140 C ATOM 15 C LIG 1 -3.252 -0.757 -1.843 0.00 0.00 +0.058 A ATOM 16 C LIG 1 -4.496 -0.179 -2.142 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -5.226 -0.701 -3.212 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -4.709 -1.765 -3.943 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -3.472 -2.268 -3.581 0.00 0.00 +0.111 A ATOM 20 N LIG 1 -2.734 -1.788 -2.558 0.00 0.00 -0.258 NA ATOM 21 C LIG 1 -5.015 0.971 -1.323 0.00 0.00 +0.041 C BRANCH 11 23 ATOM 22 C LIG 1 -6.503 2.836 0.642 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -5.387 1.874 1.029 0.00 0.00 +0.002 C ENDBRANCH 11 23 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 7 24 ATOM 24 C LIG 1 2.528 1.414 0.860 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 3.597 0.555 0.161 0.00 0.00 -0.035 A ATOM 26 C LIG 1 3.308 -0.110 -1.064 0.00 0.00 -0.023 A ATOM 27 C LIG 1 1.959 -0.050 -1.725 0.00 0.00 +0.046 C ATOM 28 C LIG 1 4.316 -0.896 -1.619 0.00 0.00 +0.068 A ATOM 29 N LIG 1 4.273 -1.659 -2.822 0.00 0.00 -0.262 N ATOM 30 H LIG 1 4.182 -1.001 -3.598 0.00 0.00 +0.168 HD ATOM 31 N LIG 1 5.534 -2.375 -2.893 0.00 0.00 -0.161 NA ATOM 32 H LIG 1 5.332 -3.352 -2.648 0.00 0.00 +0.168 HD ATOM 33 N LIG 1 6.385 -1.810 -1.882 0.00 0.00 -0.252 N ATOM 34 C LIG 1 7.447 -2.603 -1.290 0.00 0.00 +0.151 C ATOM 35 C LIG 1 5.586 -1.023 -1.047 0.00 0.00 +0.068 A ATOM 36 C LIG 1 5.881 -0.390 0.138 0.00 0.00 +0.026 A ATOM 37 C LIG 1 4.884 0.387 0.741 0.00 0.00 +0.006 A ENDBRANCH 24 25 BRANCH 24 38 ATOM 38 C LIG 1 3.030 2.476 1.857 0.00 0.00 +0.133 C BRANCH 38 39 ATOM 39 C LIG 1 3.922 3.493 1.208 0.00 0.00 +0.306 C ATOM 40 O LIG 1 5.071 3.745 1.530 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 3.318 4.182 0.222 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 4.013 4.796 -0.097 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 24 38 ENDBRANCH 7 24 TORSDOF 8