REMARK Name = BDB010419 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.103 -1.871 0.355 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.363 -0.761 -0.004 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.743 -0.714 0.818 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.593 -1.831 1.631 0.00 0.00 +0.185 A ATOM 5 N LIG 1 1.470 -2.201 2.575 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.524 -1.388 2.634 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.760 -0.277 1.898 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.859 0.106 0.970 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.551 -2.514 1.353 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 -3.798 -5.470 -1.728 0.00 0.00 +0.040 C ATOM 11 C LIG 1 -3.713 -4.092 -1.078 0.00 0.00 +0.135 C ATOM 12 C LIG 1 -2.252 -3.581 -0.885 0.00 0.00 +0.102 C ATOM 13 C LIG 1 -1.481 -3.542 -2.209 0.00 0.00 +0.030 C ATOM 14 N LIG 1 -2.260 -2.194 -0.292 0.00 0.00 -0.293 N ATOM 15 C LIG 1 -3.469 -1.959 0.550 0.00 0.00 +0.136 C ATOM 16 C LIG 1 -3.989 -3.262 1.162 0.00 0.00 +0.179 C ATOM 17 O LIG 1 -4.434 -4.194 0.168 0.00 0.00 -0.373 OA ENDBRANCH 1 14 BRANCH 6 18 ATOM 18 C LIG 1 3.580 -1.715 3.618 0.00 0.00 +0.220 A ATOM 19 N LIG 1 4.676 -0.941 3.675 0.00 0.00 -0.269 N ATOM 20 H LIG 1 4.880 -0.139 3.104 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 5.463 -1.448 4.631 0.00 0.00 +0.440 A ATOM 22 O LIG 1 6.551 -1.010 4.969 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 4.840 -2.545 5.171 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 3.596 -2.688 4.471 0.00 0.00 -0.051 NA ENDBRANCH 6 18 BRANCH 8 25 ATOM 25 N LIG 1 2.072 1.259 0.224 0.00 0.00 -0.324 N ATOM 26 H LIG 1 1.203 1.734 0.020 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 3.161 2.162 0.616 0.00 0.00 +0.072 C ATOM 28 C LIG 1 2.788 3.577 0.165 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 4.490 1.683 0.015 0.00 0.00 +0.009 C ATOM 30 C LIG 1 5.763 2.574 0.093 0.00 0.00 +0.005 C ATOM 31 C LIG 1 6.198 1.935 -1.243 0.00 0.00 +0.001 C ATOM 32 C LIG 1 4.703 1.678 -1.527 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 2 33 ATOM 33 C LIG 1 -0.669 0.095 -1.138 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 -1.806 1.105 -0.890 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -2.212 1.776 -2.217 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -2.753 3.199 -2.055 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -3.529 3.418 -0.753 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -4.869 2.675 -0.768 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -2.687 3.041 0.480 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -1.473 2.160 0.167 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 7