REMARK Name = BDB057450 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.768 -1.344 -0.336 0.00 0.00 -0.027 A ATOM 2 C LIG 1 -0.234 -1.972 0.418 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -1.543 -1.448 0.512 0.00 0.00 -0.039 A ATOM 4 C LIG 1 -2.487 -2.193 1.444 0.00 0.00 +0.040 C ATOM 5 C LIG 1 -3.969 -1.804 1.528 0.00 0.00 +0.040 C ATOM 6 C LIG 1 -4.176 -0.382 1.995 0.00 0.00 -0.039 A ATOM 7 C LIG 1 -3.789 0.682 1.161 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -3.197 0.354 -0.155 0.00 0.00 -0.004 C ATOM 9 C LIG 1 -3.966 0.499 -1.265 0.00 0.00 +0.003 C ATOM 10 C LIG 1 -5.378 1.016 -1.330 0.00 0.00 +0.048 C ATOM 11 C LIG 1 -3.943 2.005 1.589 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -4.501 2.271 2.839 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -4.899 1.220 3.664 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -4.736 -0.103 3.247 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -1.849 -0.274 -0.204 0.00 0.00 -0.014 A ATOM 16 C LIG 1 -0.834 0.367 -0.939 0.00 0.00 +0.009 A ATOM 17 C LIG 1 0.451 -0.168 -1.018 0.00 0.00 +0.006 A ENDROOT BRANCH 9 18 ATOM 18 C LIG 1 -3.486 -0.004 -2.568 0.00 0.00 +0.179 A ATOM 19 N LIG 1 -3.081 0.884 -3.474 0.00 0.00 -0.272 N ATOM 20 H LIG 1 -3.026 1.883 -3.404 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -2.689 0.180 -4.546 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -2.236 0.649 -5.578 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -2.886 -1.153 -4.289 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 -3.418 -1.227 -2.963 0.00 0.00 -0.055 NA ENDBRANCH 9 18 BRANCH 1 25 ATOM 25 C LIG 1 2.156 -1.932 -0.412 0.00 0.00 +0.160 C BRANCH 25 27 ATOM 26 C LIG 1 3.461 -0.786 1.452 0.00 0.00 +0.112 A ATOM 27 N LIG 1 3.166 -1.037 0.127 0.00 0.00 -0.308 N ATOM 28 C LIG 1 4.048 -0.318 -0.639 0.00 0.00 +0.161 A ATOM 29 C LIG 1 4.856 0.347 0.270 0.00 0.00 +0.111 A ATOM 30 C LIG 1 5.872 1.179 -0.226 0.00 0.00 -0.020 A ATOM 31 C LIG 1 5.970 1.258 -1.627 0.00 0.00 +0.028 A ATOM 32 C LIG 1 5.091 0.536 -2.444 0.00 0.00 +0.041 A ATOM 33 C LIG 1 5.226 0.646 -3.937 0.00 0.00 +0.065 C ATOM 34 C LIG 1 6.812 1.951 0.645 0.00 0.00 +0.046 C ATOM 35 N LIG 1 4.105 -0.272 -1.984 0.00 0.00 -0.233 NA ATOM 36 N LIG 1 4.486 0.043 1.556 0.00 0.00 -0.230 NA BRANCH 26 38 ATOM 37 C LIG 1 1.770 -0.348 3.227 0.00 0.00 +0.012 C ATOM 38 C LIG 1 2.724 -1.363 2.616 0.00 0.00 +0.071 C ENDBRANCH 26 38 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 4