REMARK Name = BDB000432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.295 0.453 1.664 0.00 0.00 +0.009 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.380 -0.160 2.554 0.00 0.00 +0.000 C BRANCH 2 3 ATOM 3 C LIG 1 2.361 -1.104 1.852 0.00 0.00 +0.000 C BRANCH 3 4 ATOM 4 C LIG 1 3.097 -0.521 0.643 0.00 0.00 +0.009 C BRANCH 4 5 ATOM 5 C LIG 1 3.931 0.716 0.976 0.00 0.00 +0.098 C BRANCH 5 7 ATOM 6 O LIG 1 4.785 0.622 -1.302 0.00 0.00 -0.274 OA ATOM 7 C LIG 1 4.755 1.180 -0.208 0.00 0.00 +0.235 C ATOM 8 N LIG 1 5.502 2.307 0.057 0.00 0.00 -0.197 N ATOM 9 H LIG 1 5.210 2.980 0.758 0.00 0.00 +0.182 HD BRANCH 8 10 ATOM 10 O LIG 1 6.179 2.845 -1.065 0.00 0.00 -0.295 OA ATOM 11 H LIG 1 5.959 2.199 -1.774 0.00 0.00 +0.241 HD ENDBRANCH 8 10 ENDBRANCH 5 7 ENDBRANCH 4 5 ENDBRANCH 3 4 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 12 ATOM 12 C LIG 1 -0.608 -0.587 1.000 0.00 0.00 +0.096 C BRANCH 12 13 ATOM 13 C LIG 1 -1.750 0.054 0.223 0.00 0.00 +0.217 C ATOM 14 N LIG 1 -2.555 -0.907 -0.369 0.00 0.00 -0.285 N ATOM 15 H LIG 1 -2.289 -1.873 -0.224 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 -1.895 1.269 0.160 0.00 0.00 -0.275 OA BRANCH 14 17 ATOM 17 C LIG 1 -3.703 -0.701 -1.161 0.00 0.00 +0.033 A ATOM 18 C LIG 1 -4.351 -1.840 -1.657 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -5.496 -1.723 -2.450 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -6.004 -0.465 -2.756 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -5.368 0.674 -2.268 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -4.222 0.557 -1.474 0.00 0.00 +0.023 A ENDBRANCH 14 17 ENDBRANCH 12 13 ENDBRANCH 1 12 TORSDOF 9