REMARK Name = BDB008155 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.809 -0.037 -0.143 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.158 -1.986 0.535 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -1.768 -0.679 0.749 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -1.733 -0.370 1.715 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -1.884 -2.608 -0.491 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -2.921 -2.627 1.712 0.00 0.00 +0.156 C ATOM 7 C LIG 1 -1.934 -3.078 2.780 0.00 0.00 +0.038 C BRANCH 6 10 ATOM 8 C LIG 1 -5.543 -4.778 0.045 0.00 0.00 +0.109 C ATOM 9 C LIG 1 -4.977 -3.595 0.782 0.00 0.00 +0.211 C ATOM 10 N LIG 1 -3.676 -3.766 1.200 0.00 0.00 -0.304 N ATOM 11 H LIG 1 -3.127 -4.430 0.664 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 -5.629 -2.575 0.980 0.00 0.00 -0.276 OA ENDBRANCH 6 10 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 13 ATOM 13 C LIG 1 0.588 -0.195 0.494 0.00 0.00 +0.234 C ATOM 14 N LIG 1 1.641 -0.032 -0.382 0.00 0.00 -0.302 N ATOM 15 H LIG 1 1.436 0.451 -1.251 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 0.741 -0.413 1.696 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 3.003 0.169 0.122 0.00 0.00 +0.163 C BRANCH 17 18 ATOM 18 C LIG 1 3.225 1.694 0.154 0.00 0.00 +0.231 C ATOM 19 O LIG 1 2.574 2.478 -0.537 0.00 0.00 -0.274 OA ATOM 20 N LIG 1 4.212 2.151 0.976 0.00 0.00 -0.328 N ATOM 21 H LIG 1 4.420 3.140 0.956 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 4.891 1.533 1.406 0.00 0.00 +0.145 HD ENDBRANCH 17 18 BRANCH 17 23 ATOM 23 C LIG 1 4.020 -0.515 -0.803 0.00 0.00 +0.067 C BRANCH 23 24 ATOM 24 C LIG 1 5.412 -0.592 -0.221 0.00 0.00 -0.045 A ATOM 25 C LIG 1 5.683 -1.438 0.863 0.00 0.00 +0.004 A ATOM 26 C LIG 1 6.962 -1.488 1.419 0.00 0.00 +0.000 A ATOM 27 C LIG 1 7.982 -0.697 0.895 0.00 0.00 +0.000 A ATOM 28 C LIG 1 7.726 0.142 -0.188 0.00 0.00 +0.000 A ATOM 29 C LIG 1 6.447 0.194 -0.746 0.00 0.00 +0.004 A ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 14 17 ENDBRANCH 1 13 BRANCH 1 30 ATOM 30 C LIG 1 -1.131 1.451 -0.324 0.00 0.00 +0.033 C BRANCH 30 31 ATOM 31 C LIG 1 -2.470 1.673 -1.033 0.00 0.00 +0.023 C BRANCH 31 32 ATOM 32 C LIG 1 -2.734 3.160 -1.271 0.00 0.00 +0.115 C BRANCH 32 33 ATOM 33 N LIG 1 -4.030 3.336 -1.908 0.00 0.00 -0.356 N ATOM 34 H LIG 1 -4.268 2.583 -2.543 0.00 0.00 +0.162 HD BRANCH 33 35 ATOM 35 C LIG 1 -4.521 4.538 -2.281 0.00 0.00 +0.188 C ATOM 36 N LIG 1 -5.360 4.708 -3.238 0.00 0.00 -0.269 NA ATOM 37 H LIG 1 -5.588 3.805 -3.656 0.00 0.00 +0.190 HD BRANCH 35 38 ATOM 38 N LIG 1 -4.104 5.606 -1.579 0.00 0.00 -0.370 N ATOM 39 H LIG 1 -4.650 6.416 -1.856 0.00 0.00 +0.159 HD ATOM 40 H LIG 1 -4.174 5.460 -0.581 0.00 0.00 +0.159 HD ENDBRANCH 35 38 ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 14