REMARK Name = BDB013110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.180 0.933 -0.267 0.00 0.00 +0.046 A ATOM 2 C LIG 1 -2.222 1.742 -0.801 0.00 0.00 +0.173 A ATOM 3 N LIG 1 -3.492 1.218 -0.798 0.00 0.00 -0.253 N ATOM 4 C LIG 1 -4.271 2.143 -1.428 0.00 0.00 +0.232 A ATOM 5 N LIG 1 -3.550 3.197 -1.737 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -3.799 -0.040 -0.272 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.842 -0.793 0.200 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -2.255 2.944 -1.341 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 -1.556 -0.288 0.179 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 2.927 2.046 -0.300 0.00 0.00 +0.043 A ATOM 11 N LIG 1 2.150 2.335 -1.371 0.00 0.00 -0.259 NA ATOM 12 C LIG 1 0.842 1.978 -1.311 0.00 0.00 +0.119 A ATOM 13 C LIG 1 0.250 1.314 -0.237 0.00 0.00 +0.005 A ATOM 14 C LIG 1 1.077 1.046 0.859 0.00 0.00 +0.012 A ATOM 15 C LIG 1 2.424 1.409 0.829 0.00 0.00 +0.024 A BRANCH 10 16 ATOM 16 C LIG 1 4.383 2.424 -0.395 0.00 0.00 +0.071 C BRANCH 16 17 ATOM 17 C LIG 1 5.256 1.257 -0.883 0.00 0.00 +0.090 C BRANCH 17 23 ATOM 18 C LIG 1 10.141 -2.308 0.561 0.00 0.00 +0.109 C ATOM 19 C LIG 1 9.230 -1.634 1.557 0.00 0.00 +0.213 C ATOM 20 N LIG 1 8.066 -1.075 1.062 0.00 0.00 -0.299 N ATOM 21 C LIG 1 7.617 -1.167 -0.330 0.00 0.00 +0.123 C ATOM 22 C LIG 1 6.091 -1.003 -0.459 0.00 0.00 +0.103 C ATOM 23 N LIG 1 5.533 0.228 0.142 0.00 0.00 -0.299 NA ATOM 24 C LIG 1 6.391 0.749 1.232 0.00 0.00 +0.103 C ATOM 25 C LIG 1 7.186 -0.341 1.972 0.00 0.00 +0.123 C ATOM 26 O LIG 1 9.532 -1.592 2.749 0.00 0.00 -0.276 OA ENDBRANCH 17 23 ENDBRANCH 16 17 ENDBRANCH 10 16 ENDBRANCH 1 13 BRANCH 6 27 ATOM 27 N LIG 1 -5.092 -0.514 -0.267 0.00 0.00 -0.310 N ATOM 28 H LIG 1 -5.055 -1.506 -0.023 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 -6.097 0.116 0.584 0.00 0.00 +0.140 C BRANCH 29 30 ATOM 30 C LIG 1 -7.369 -0.688 0.537 0.00 0.00 -0.024 A ATOM 31 C LIG 1 -8.138 -0.789 -0.619 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -7.902 -0.241 -1.976 0.00 0.00 +0.080 C ATOM 33 C LIG 1 -9.268 -0.517 -2.602 0.00 0.00 +0.234 C ATOM 34 O LIG 1 -9.921 -1.575 -1.866 0.00 0.00 -0.491 OA ATOM 35 C LIG 1 -9.290 -1.563 -0.649 0.00 0.00 +0.124 A ATOM 36 C LIG 1 -9.729 -2.268 0.451 0.00 0.00 +0.046 A ATOM 37 C LIG 1 -8.983 -2.174 1.626 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -7.816 -1.391 1.670 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 6 27 TORSDOF 7