REMARK Name = BDB037878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.172 -2.114 -0.384 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.791 -1.116 -0.118 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.502 0.243 -0.153 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.708 0.941 0.125 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.696 0.054 0.293 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.867 0.777 -0.442 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.866 -0.293 0.054 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.136 -1.175 0.189 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.508 -1.668 -0.547 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.388 -2.356 -1.082 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.895 2.412 0.195 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.156 2.934 0.467 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.392 2.241 0.686 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.512 3.246 0.588 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.885 4.580 0.269 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.439 2.094 -0.377 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.369 4.389 0.520 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.954 3.183 -0.003 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -2.991 4.941 1.839 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -2.733 5.388 2.880 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.061 -2.262 0.499 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -2.577 -3.248 1.563 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -3.577 -4.377 1.741 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -3.882 -4.965 0.478 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -4.577 -4.062 -0.378 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -3.687 -2.889 -0.751 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.270 -0.001 -0.239 0.00 0.00 -0.299 N ATOM 28 H LIG 1 3.766 -0.712 -0.768 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.974 0.933 0.488 0.00 0.00 +0.248 C ATOM 30 O LIG 1 3.453 1.637 1.342 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 5.413 1.033 0.170 0.00 0.00 +0.079 A ATOM 32 C LIG 1 6.358 1.309 1.162 0.00 0.00 +0.147 A ATOM 33 C LIG 1 7.723 1.427 0.909 0.00 0.00 +0.021 A ATOM 34 C LIG 1 8.333 1.700 2.163 0.00 0.00 +0.049 A ATOM 35 C LIG 1 7.318 1.722 3.090 0.00 0.00 +0.196 A ATOM 36 C LIG 1 8.186 1.268 -0.411 0.00 0.00 +0.012 A ATOM 37 C LIG 1 7.260 0.997 -1.427 0.00 0.00 +0.002 A ATOM 38 O LIG 1 6.123 1.478 2.496 0.00 0.00 -0.462 OA ATOM 39 C LIG 1 5.897 0.883 -1.143 0.00 0.00 +0.017 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 40 ATOM 40 C LIG 1 1.158 1.193 -1.880 0.00 0.00 -0.001 C ATOM 41 C LIG 1 0.793 0.346 -3.078 0.00 0.00 +0.004 C ATOM 42 C LIG 1 0.097 1.659 -2.852 0.00 0.00 +0.004 C ENDBRANCH 6 40 BRANCH 1 44 ATOM 43 C LIG 1 0.643 -4.533 0.041 0.00 0.00 +0.025 C ATOM 44 C LIG 1 -0.076 -3.487 -0.810 0.00 0.00 +0.112 C ENDBRANCH 1 44 TORSDOF 7