REMARK Name = BDB004740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.645 -1.443 -0.716 0.00 0.00 +0.116 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.795 -0.486 -1.539 0.00 0.00 -0.024 A ATOM 3 C LIG 1 -0.491 -0.130 -1.095 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -1.307 0.736 -1.838 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -0.828 1.243 -3.045 0.00 0.00 +0.023 A ATOM 6 C LIG 1 0.450 0.905 -3.497 0.00 0.00 +0.002 A ATOM 7 C LIG 1 1.256 0.049 -2.749 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 -2.581 1.032 -1.308 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -2.785 0.614 -0.410 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -3.525 1.900 -1.826 0.00 0.00 +0.248 C ATOM 11 O LIG 1 -3.413 2.614 -2.815 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 -4.790 1.980 -1.051 0.00 0.00 +0.042 A ATOM 13 C LIG 1 -5.361 0.849 -0.465 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -6.544 0.979 0.258 0.00 0.00 +0.121 A ATOM 15 N LIG 1 -7.133 2.185 0.409 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 -6.580 3.262 -0.192 0.00 0.00 +0.113 A ATOM 17 C LIG 1 -5.421 3.212 -0.934 0.00 0.00 +0.033 A BRANCH 14 18 ATOM 18 N LIG 1 -7.108 -0.166 0.865 0.00 0.00 -0.321 N ATOM 19 C LIG 1 -7.562 -1.141 -0.131 0.00 0.00 +0.130 C ATOM 20 C LIG 1 -8.132 0.175 1.857 0.00 0.00 +0.130 C ENDBRANCH 14 18 ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 N LIG 1 3.012 -0.923 -0.546 0.00 0.00 -0.320 N ATOM 22 H LIG 1 3.638 -1.723 -0.425 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 3.229 -0.017 0.512 0.00 0.00 +0.130 A ATOM 24 C LIG 1 4.526 0.498 0.718 0.00 0.00 +0.041 A ATOM 25 C LIG 1 4.689 1.393 1.794 0.00 0.00 +0.088 A ATOM 26 C LIG 1 5.983 1.907 2.024 0.00 0.00 +0.063 A ATOM 27 C LIG 1 7.071 1.549 1.204 0.00 0.00 +0.015 A ATOM 28 C LIG 1 6.896 0.680 0.139 0.00 0.00 +0.002 A ATOM 29 N LIG 1 3.630 1.735 2.562 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 2.439 1.205 2.260 0.00 0.00 +0.223 A ATOM 31 C LIG 1 5.632 0.161 -0.102 0.00 0.00 +0.013 A ATOM 32 N LIG 1 2.188 0.341 1.280 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 6.302 2.858 3.135 0.00 0.00 +0.244 C ATOM 34 O LIG 1 7.442 3.273 3.319 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 5.292 3.265 3.954 0.00 0.00 -0.325 N ATOM 36 H LIG 1 4.340 2.942 3.807 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 5.495 3.919 4.697 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 1 21 BRANCH 1 38 ATOM 38 C LIG 1 1.740 -2.839 -1.420 0.00 0.00 +0.110 C BRANCH 38 40 ATOM 39 C LIG 1 2.289 -4.199 0.534 0.00 0.00 +0.104 C ATOM 40 N LIG 1 2.731 -3.760 -0.793 0.00 0.00 -0.306 NA ATOM 41 C LIG 1 2.928 -4.930 -1.656 0.00 0.00 +0.104 C ENDBRANCH 38 40 ENDBRANCH 1 38 TORSDOF 9