REMARK Name = BDB007836 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.503 -0.032 0.239 0.00 0.00 +0.125 A ATOM 2 N LIG 1 0.489 0.698 -0.309 0.00 0.00 -0.233 NA ATOM 3 C LIG 1 1.760 0.221 -0.199 0.00 0.00 +0.082 A ATOM 4 C LIG 1 2.853 0.975 -0.890 0.00 0.00 +0.166 C ATOM 5 N LIG 1 4.159 0.743 -0.305 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.510 -0.523 0.144 0.00 0.00 +0.309 C ATOM 7 N LIG 1 3.457 -1.377 0.484 0.00 0.00 -0.257 N ATOM 8 C LIG 1 3.788 -2.683 1.034 0.00 0.00 +0.140 C ATOM 9 O LIG 1 5.690 -0.854 0.269 0.00 0.00 -0.252 OA ATOM 10 C LIG 1 5.220 1.642 -0.715 0.00 0.00 +0.134 C ATOM 11 C LIG 1 2.095 -0.971 0.428 0.00 0.00 +0.060 A ATOM 12 C LIG 1 1.046 -1.711 0.971 0.00 0.00 +0.029 A ATOM 13 C LIG 1 -0.266 -1.237 0.880 0.00 0.00 +0.046 A ENDROOT BRANCH 1 15 ATOM 14 C LIG 1 -2.980 0.072 0.514 0.00 0.00 +0.235 C ATOM 15 N LIG 1 -1.760 0.548 0.086 0.00 0.00 -0.269 N ATOM 16 H LIG 1 -1.715 1.428 -0.409 0.00 0.00 +0.156 HD ATOM 17 O LIG 1 -3.168 -0.978 1.125 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 C LIG 1 -4.146 1.028 0.163 0.00 0.00 +0.137 C ATOM 19 C LIG 1 -4.188 2.159 1.187 0.00 0.00 +0.034 C BRANCH 18 21 ATOM 20 C LIG 1 -5.618 -0.527 -0.991 0.00 0.00 +0.101 C ATOM 21 N LIG 1 -5.442 0.317 0.186 0.00 0.00 -0.309 NA ATOM 22 H LIG 1 -5.443 -0.288 1.014 0.00 0.00 +0.122 HD ENDBRANCH 18 21 ENDBRANCH 14 18 ENDBRANCH 1 15 TORSDOF 3