REMARK Name = BDB014642 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.166 0.251 1.440 0.00 0.00 -0.272 OA ATOM 2 C LIG 1 -0.395 1.366 0.981 0.00 0.00 +0.251 C ATOM 3 N LIG 1 0.473 2.433 1.150 0.00 0.00 -0.310 N ATOM 4 H LIG 1 0.404 3.199 0.491 0.00 0.00 +0.149 HD ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 1.788 2.216 1.734 0.00 0.00 +0.136 C BRANCH 5 6 ATOM 6 C LIG 1 2.788 1.701 0.682 0.00 0.00 +0.145 C BRANCH 6 7 ATOM 7 O LIG 1 2.942 2.734 -0.310 0.00 0.00 -0.389 OA ATOM 8 H LIG 1 3.593 3.373 0.029 0.00 0.00 +0.210 HD ENDBRANCH 6 7 BRANCH 6 9 ATOM 9 C LIG 1 4.139 1.345 1.353 0.00 0.00 +0.117 C BRANCH 9 10 ATOM 10 N LIG 1 5.156 0.639 0.556 0.00 0.00 -0.295 NA ATOM 11 C LIG 1 4.764 -0.753 0.263 0.00 0.00 +0.120 C ATOM 12 C LIG 1 5.788 -1.502 -0.567 0.00 0.00 -0.030 A ATOM 13 C LIG 1 6.740 -0.809 -1.336 0.00 0.00 -0.042 A ATOM 14 C LIG 1 7.657 -1.524 -2.119 0.00 0.00 +0.004 A ATOM 15 C LIG 1 7.611 -2.917 -2.161 0.00 0.00 +0.000 A ATOM 16 C LIG 1 6.655 -3.606 -1.417 0.00 0.00 +0.000 A ATOM 17 C LIG 1 6.814 0.695 -1.264 0.00 0.00 +0.051 C ATOM 18 C LIG 1 5.746 -2.902 -0.626 0.00 0.00 +0.005 A ATOM 19 C LIG 1 5.537 1.321 -0.684 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 -1.651 1.725 0.176 0.00 0.00 +0.324 C BRANCH 20 21 ATOM 21 O LIG 1 -2.663 0.736 0.132 0.00 0.00 -0.482 OA BRANCH 21 22 ATOM 22 C LIG 1 -3.565 0.670 1.163 0.00 0.00 +0.125 A ATOM 23 C LIG 1 -4.694 -0.154 0.945 0.00 0.00 -0.001 A ATOM 24 C LIG 1 -5.668 -0.238 1.956 0.00 0.00 +0.007 A ATOM 25 C LIG 1 -5.518 0.450 3.160 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -4.393 1.235 3.374 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -3.419 1.345 2.381 0.00 0.00 +0.046 A BRANCH 23 28 ATOM 28 C LIG 1 -4.855 -0.901 -0.380 0.00 0.00 +0.039 C ATOM 29 C LIG 1 -5.424 0.058 -1.452 0.00 0.00 +0.042 C ATOM 30 C LIG 1 -6.026 -0.715 -2.623 0.00 0.00 +0.129 C ATOM 31 C LIG 1 -7.144 -1.671 -2.144 0.00 0.00 +0.112 C ATOM 32 N LIG 1 -7.059 -2.077 -0.728 0.00 0.00 -0.313 NA ATOM 33 H LIG 1 -7.482 -1.347 -0.157 0.00 0.00 +0.122 HD ATOM 34 C LIG 1 -5.654 -2.232 -0.325 0.00 0.00 +0.089 C BRANCH 30 35 ATOM 35 O LIG 1 -5.000 -1.462 -3.280 0.00 0.00 -0.391 OA ATOM 36 H LIG 1 -4.291 -0.842 -3.521 0.00 0.00 +0.210 HD ENDBRANCH 30 35 ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 2 20 TORSDOF 10