REMARK Name = BDB038790 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.359 0.221 1.232 0.00 0.00 +0.163 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -2.808 0.312 1.075 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -2.789 0.686 2.021 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -1.647 -0.041 0.429 0.00 0.00 +0.234 C ATOM 5 O LIG 1 -1.645 -0.503 -0.711 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -4.130 0.146 0.470 0.00 0.00 +0.161 C BRANCH 6 7 ATOM 7 C LIG 1 -5.048 1.174 1.159 0.00 0.00 +0.231 C ATOM 8 O LIG 1 -4.788 1.674 2.253 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 -6.200 1.503 0.508 0.00 0.00 -0.328 N ATOM 10 H LIG 1 -6.759 2.238 0.923 0.00 0.00 +0.145 HD ATOM 11 H LIG 1 -6.325 1.324 -0.479 0.00 0.00 +0.145 HD ENDBRANCH 6 7 BRANCH 6 12 ATOM 12 C LIG 1 -4.621 -1.319 0.590 0.00 0.00 +0.015 C ATOM 13 C LIG 1 -4.887 -1.721 2.049 0.00 0.00 +0.010 C BRANCH 12 15 ATOM 14 C LIG 1 -5.655 -1.441 -1.758 0.00 0.00 +0.004 C ATOM 15 C LIG 1 -5.860 -1.654 -0.265 0.00 0.00 +0.002 C ENDBRANCH 12 15 ENDBRANCH 6 12 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 16 ATOM 16 N LIG 1 0.734 -0.539 0.647 0.00 0.00 -0.302 N ATOM 17 H LIG 1 0.725 -0.672 -0.367 0.00 0.00 +0.150 HD ATOM 18 C LIG 1 1.977 -0.614 1.229 0.00 0.00 +0.231 C ATOM 19 O LIG 1 2.196 -0.275 2.388 0.00 0.00 -0.274 OA BRANCH 18 20 ATOM 20 C LIG 1 3.053 -1.187 0.280 0.00 0.00 +0.142 C BRANCH 20 21 ATOM 21 N LIG 1 2.722 -0.807 -1.120 0.00 0.00 -0.320 NA ATOM 22 H LIG 1 3.454 -1.165 -1.736 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 2.768 0.212 -1.203 0.00 0.00 +0.119 HD ENDBRANCH 20 21 BRANCH 20 24 ATOM 24 C LIG 1 4.447 -0.703 0.722 0.00 0.00 +0.063 C BRANCH 24 25 ATOM 25 C LIG 1 5.579 -1.252 -0.114 0.00 0.00 -0.043 A ATOM 26 C LIG 1 6.281 -0.426 -0.997 0.00 0.00 +0.023 A ATOM 27 C LIG 1 7.305 -0.978 -1.751 0.00 0.00 +0.111 A ATOM 28 N LIG 1 7.669 -2.276 -1.688 0.00 0.00 -0.263 NA ATOM 29 C LIG 1 6.984 -3.055 -0.825 0.00 0.00 +0.111 A ATOM 30 C LIG 1 5.946 -2.597 -0.028 0.00 0.00 +0.023 A ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 1 31 ATOM 31 C LIG 1 -0.072 1.736 1.347 0.00 0.00 +0.067 C BRANCH 31 32 ATOM 32 C LIG 1 0.665 2.351 0.174 0.00 0.00 -0.045 A ATOM 33 C LIG 1 1.990 2.788 0.332 0.00 0.00 +0.004 A ATOM 34 C LIG 1 2.693 3.334 -0.742 0.00 0.00 +0.000 A ATOM 35 C LIG 1 2.080 3.452 -1.987 0.00 0.00 +0.000 A ATOM 36 C LIG 1 0.763 3.029 -2.155 0.00 0.00 +0.000 A ATOM 37 C LIG 1 0.057 2.485 -1.080 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 12