REMARK Name = BDB064641 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.213 -1.608 0.617 0.00 0.00 +0.163 C ENDROOT BRANCH 1 5 ATOM 2 N LIG 1 1.942 -2.245 2.268 0.00 0.00 -0.328 N ATOM 3 H LIG 1 2.288 -2.827 3.020 0.00 0.00 +0.145 HD ATOM 4 H LIG 1 2.494 -1.444 1.984 0.00 0.00 +0.145 HD ATOM 5 C LIG 1 0.724 -2.536 1.734 0.00 0.00 +0.231 C ATOM 6 O LIG 1 0.075 -3.499 2.145 0.00 0.00 -0.274 OA ENDBRANCH 1 5 BRANCH 1 7 ATOM 7 N LIG 1 -1.204 -1.926 0.428 0.00 0.00 -0.302 N ATOM 8 H LIG 1 -1.565 -2.685 1.003 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 -2.073 -1.007 -0.116 0.00 0.00 +0.234 C ATOM 10 O LIG 1 -1.689 0.045 -0.624 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 C LIG 1 -3.544 -1.463 -0.132 0.00 0.00 +0.164 C ATOM 12 N LIG 1 -4.444 -0.317 -0.268 0.00 0.00 -0.286 N ATOM 13 C LIG 1 -4.613 0.574 0.774 0.00 0.00 +0.238 C ATOM 14 O LIG 1 -4.128 0.336 1.880 0.00 0.00 -0.274 OA ATOM 15 C LIG 1 -5.056 -0.283 -1.587 0.00 0.00 +0.140 C ATOM 16 C LIG 1 -5.072 -1.755 -1.988 0.00 0.00 +0.134 C ATOM 17 C LIG 1 -3.788 -2.320 -1.385 0.00 0.00 +0.065 C BRANCH 16 18 ATOM 18 O LIG 1 -6.202 -2.412 -1.411 0.00 0.00 -0.390 OA ATOM 19 H LIG 1 -6.205 -2.226 -0.455 0.00 0.00 +0.210 HD ENDBRANCH 16 18 BRANCH 13 20 ATOM 20 C LIG 1 -5.461 1.796 0.488 0.00 0.00 +0.241 C BRANCH 20 21 ATOM 21 N LIG 1 -5.250 2.871 1.435 0.00 0.00 -0.243 N ATOM 22 N LIG 1 -4.814 4.070 1.004 0.00 0.00 -0.065 NA ATOM 23 N LIG 1 -4.810 4.892 2.046 0.00 0.00 -0.138 NA ATOM 24 C LIG 1 -5.278 4.204 3.128 0.00 0.00 +0.156 A ATOM 25 C LIG 1 -5.590 2.920 2.755 0.00 0.00 +0.130 A ENDBRANCH 20 21 ENDBRANCH 13 20 ENDBRANCH 9 11 ENDBRANCH 1 7 BRANCH 1 26 ATOM 26 C LIG 1 1.002 -1.806 -0.689 0.00 0.00 +0.067 C BRANCH 26 27 ATOM 27 C LIG 1 2.341 -1.104 -0.703 0.00 0.00 -0.045 A ATOM 28 C LIG 1 2.405 0.293 -0.716 0.00 0.00 +0.004 A ATOM 29 C LIG 1 3.642 0.946 -0.710 0.00 0.00 +0.009 A ATOM 30 C LIG 1 4.845 0.223 -0.698 0.00 0.00 -0.018 A ATOM 31 C LIG 1 4.767 -1.179 -0.697 0.00 0.00 +0.009 A ATOM 32 C LIG 1 3.533 -1.836 -0.703 0.00 0.00 +0.004 A BRANCH 30 33 ATOM 33 C LIG 1 6.146 0.912 -0.694 0.00 0.00 -0.018 A ATOM 34 C LIG 1 7.125 0.609 0.267 0.00 0.00 +0.008 A ATOM 35 C LIG 1 8.360 1.263 0.271 0.00 0.00 +0.001 A ATOM 36 C LIG 1 8.638 2.234 -0.688 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.683 2.550 -1.650 0.00 0.00 +0.001 A ATOM 38 C LIG 1 6.448 1.895 -1.652 0.00 0.00 +0.008 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 9