REMARK Name = BDB043478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.896 1.096 -1.237 0.00 0.00 +0.082 C ATOM 2 C LIG 1 4.504 2.448 -0.940 0.00 0.00 +0.202 C ATOM 3 O LIG 1 5.711 2.664 -0.898 0.00 0.00 -0.286 OA ATOM 4 C LIG 1 3.581 3.552 -0.630 0.00 0.00 +0.080 C ATOM 5 C LIG 1 2.287 3.539 -0.976 0.00 0.00 +0.085 C ATOM 6 C LIG 1 1.826 2.352 -1.756 0.00 0.00 +0.205 C ATOM 7 O LIG 1 0.892 2.396 -2.546 0.00 0.00 -0.286 OA ATOM 8 N LIG 1 1.520 4.641 -0.650 0.00 0.00 -0.279 N ATOM 9 H LIG 1 2.020 5.409 -0.211 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 0.218 5.020 -0.770 0.00 0.00 +0.244 C ATOM 11 O LIG 1 -0.091 6.154 -0.397 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -0.838 4.145 -1.315 0.00 0.00 +0.012 C ATOM 13 C LIG 1 -1.286 4.525 -2.692 0.00 0.00 +0.049 C ATOM 14 C LIG 1 -1.442 3.186 -0.591 0.00 0.00 +0.008 C ATOM 15 C LIG 1 -1.137 2.787 0.764 0.00 0.00 -0.001 C ATOM 16 C LIG 1 -1.862 1.954 1.529 0.00 0.00 +0.008 C ATOM 17 C LIG 1 -3.210 1.325 1.243 0.00 0.00 +0.186 C ATOM 18 C LIG 1 -3.198 -0.204 0.832 0.00 0.00 +0.236 C ATOM 19 C LIG 1 -2.623 -1.264 1.800 0.00 0.00 -0.033 C ATOM 20 C LIG 1 -2.627 -0.905 3.274 0.00 0.00 +0.042 C ATOM 21 C LIG 1 -2.257 -2.535 1.486 0.00 0.00 -0.019 C ATOM 22 C LIG 1 -2.282 -3.275 0.164 0.00 0.00 +0.040 C ATOM 23 C LIG 1 -3.492 -4.215 0.146 0.00 0.00 +0.014 C ATOM 24 C LIG 1 -0.980 -4.090 -0.091 0.00 0.00 +0.150 C ATOM 25 C LIG 1 0.336 -3.279 0.064 0.00 0.00 +0.147 C ATOM 26 C LIG 1 0.451 -2.127 -0.951 0.00 0.00 +0.037 C ATOM 27 C LIG 1 1.548 -1.091 -0.597 0.00 0.00 -0.007 C ATOM 28 C LIG 1 1.145 -0.270 0.636 0.00 0.00 +0.008 C ATOM 29 C LIG 1 1.791 -0.189 -1.841 0.00 0.00 +0.044 C ATOM 30 C LIG 1 2.591 1.074 -1.581 0.00 0.00 +0.026 C ENDROOT BRANCH 1 31 ATOM 31 N LIG 1 4.695 -0.046 -1.143 0.00 0.00 -0.337 N ATOM 32 H LIG 1 4.224 -0.930 -1.323 0.00 0.00 +0.146 HD BRANCH 31 33 ATOM 33 C LIG 1 5.908 -0.208 -0.361 0.00 0.00 +0.128 C BRANCH 33 35 ATOM 34 C LIG 1 5.919 0.607 2.015 0.00 0.00 +0.005 C ATOM 35 C LIG 1 5.528 -0.278 1.089 0.00 0.00 -0.016 C ENDBRANCH 33 35 ENDBRANCH 31 33 ENDBRANCH 1 31 BRANCH 17 36 ATOM 36 O LIG 1 -4.008 1.566 2.417 0.00 0.00 -0.372 OA ATOM 37 C LIG 1 -5.395 1.722 2.126 0.00 0.00 +0.195 C ENDBRANCH 17 36 BRANCH 24 38 ATOM 38 O LIG 1 -1.036 -4.687 -1.396 0.00 0.00 -0.389 OA ATOM 39 H LIG 1 -0.123 -4.712 -1.738 0.00 0.00 +0.210 HD ENDBRANCH 24 38 BRANCH 25 40 ATOM 40 O LIG 1 1.474 -4.130 -0.203 0.00 0.00 -0.377 OA ATOM 41 C LIG 1 1.811 -4.988 0.890 0.00 0.00 +0.194 C ENDBRANCH 25 40 BRANCH 18 42 ATOM 42 O LIG 1 -2.532 -0.311 -0.444 0.00 0.00 -0.440 OA BRANCH 42 43 ATOM 43 C LIG 1 -3.264 0.053 -1.515 0.00 0.00 +0.398 C ATOM 44 O LIG 1 -4.422 0.426 -1.512 0.00 0.00 -0.227 OA ATOM 45 N LIG 1 -2.514 -0.008 -2.637 0.00 0.00 -0.295 N ATOM 46 H LIG 1 -2.912 0.306 -3.510 0.00 0.00 +0.148 HD ATOM 47 H LIG 1 -1.542 -0.283 -2.599 0.00 0.00 +0.148 HD ENDBRANCH 42 43 ENDBRANCH 18 42 TORSDOF 8