REMARK Name = BDB014635 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -2.549 2.687 1.097 0.00 0.00 -0.272 OA ATOM 2 C LIG 1 -1.617 2.403 1.846 0.00 0.00 +0.251 C ATOM 3 N LIG 1 -1.496 1.193 2.498 0.00 0.00 -0.310 N ATOM 4 H LIG 1 -0.557 0.945 2.797 0.00 0.00 +0.149 HD ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -2.377 0.078 2.183 0.00 0.00 +0.136 C BRANCH 5 6 ATOM 6 C LIG 1 -1.987 -0.584 0.852 0.00 0.00 +0.145 C BRANCH 6 7 ATOM 7 O LIG 1 -0.632 -1.057 0.966 0.00 0.00 -0.389 OA ATOM 8 H LIG 1 -0.329 -1.283 0.070 0.00 0.00 +0.210 HD ENDBRANCH 6 7 BRANCH 6 9 ATOM 9 C LIG 1 -2.902 -1.778 0.500 0.00 0.00 +0.117 C BRANCH 9 10 ATOM 10 N LIG 1 -4.343 -1.490 0.415 0.00 0.00 -0.295 NA ATOM 11 C LIG 1 -4.646 -0.494 -0.633 0.00 0.00 +0.120 C ATOM 12 C LIG 1 -6.125 -0.313 -0.906 0.00 0.00 -0.030 A ATOM 13 C LIG 1 -7.061 -1.284 -0.511 0.00 0.00 -0.042 A ATOM 14 C LIG 1 -8.420 -1.102 -0.802 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -8.845 0.025 -1.503 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.919 0.982 -1.911 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -6.609 -2.480 0.283 0.00 0.00 +0.051 C ATOM 18 C LIG 1 -6.566 0.814 -1.616 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -5.100 -2.727 0.161 0.00 0.00 +0.089 C ENDBRANCH 9 10 ENDBRANCH 6 9 ENDBRANCH 5 6 ENDBRANCH 3 5 BRANCH 2 20 ATOM 20 C LIG 1 -0.486 3.384 2.154 0.00 0.00 +0.324 C BRANCH 20 21 ATOM 21 O LIG 1 0.804 2.785 2.183 0.00 0.00 -0.483 OA BRANCH 21 22 ATOM 22 C LIG 1 1.378 2.430 0.993 0.00 0.00 +0.122 A ATOM 23 C LIG 1 2.623 1.808 1.115 0.00 0.00 +0.058 A ATOM 24 C LIG 1 3.331 1.397 -0.021 0.00 0.00 +0.040 A ATOM 25 C LIG 1 2.775 1.587 -1.291 0.00 0.00 +0.013 A ATOM 26 C LIG 1 1.531 2.205 -1.415 0.00 0.00 +0.004 A ATOM 27 C LIG 1 0.836 2.630 -0.278 0.00 0.00 +0.046 A BRANCH 24 28 ATOM 28 C LIG 1 4.653 0.742 0.168 0.00 0.00 +0.244 C ATOM 29 N LIG 1 5.566 0.890 -0.859 0.00 0.00 -0.310 N ATOM 30 H LIG 1 5.398 1.623 -1.535 0.00 0.00 +0.149 HD ATOM 31 O LIG 1 4.904 0.132 1.200 0.00 0.00 -0.270 OA BRANCH 29 32 ATOM 32 C LIG 1 6.937 0.432 -0.698 0.00 0.00 +0.126 C BRANCH 32 33 ATOM 33 C LIG 1 7.067 -1.090 -0.661 0.00 0.00 +0.141 C BRANCH 33 34 ATOM 34 N LIG 1 8.453 -1.505 -0.606 0.00 0.00 -0.335 N ATOM 35 C LIG 1 9.196 -1.656 0.529 0.00 0.00 +0.199 A ATOM 36 N LIG 1 10.425 -2.029 0.249 0.00 0.00 -0.244 NA ATOM 37 C LIG 1 10.468 -2.138 -1.117 0.00 0.00 +0.130 A ATOM 38 C LIG 1 9.250 -1.819 -1.671 0.00 0.00 +0.107 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 24 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 2 20 TORSDOF 12