REMARK Name = BDB013060 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.750 -0.004 0.038 0.00 0.00 +0.049 A ATOM 2 C LIG 1 2.190 -0.889 -0.927 0.00 0.00 +0.173 A ATOM 3 N LIG 1 0.864 -1.216 -0.789 0.00 0.00 -0.253 N ATOM 4 C LIG 1 0.602 -2.111 -1.783 0.00 0.00 +0.232 A ATOM 5 N LIG 1 1.676 -2.284 -2.520 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 0.054 -0.708 0.228 0.00 0.00 +0.203 A ATOM 7 N LIG 1 0.570 0.076 1.135 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 2.680 -1.510 -1.980 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 1.908 0.405 1.016 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 6.847 1.135 0.033 0.00 0.00 +0.119 A ATOM 11 N LIG 1 6.513 -0.132 -0.255 0.00 0.00 -0.240 NA ATOM 12 C LIG 1 5.194 -0.456 -0.252 0.00 0.00 +0.124 A ATOM 13 C LIG 1 4.165 0.428 0.050 0.00 0.00 +0.041 A ATOM 14 C LIG 1 4.568 1.734 0.325 0.00 0.00 +0.136 A ATOM 15 F LIG 1 3.657 2.683 0.593 0.00 0.00 -0.205 F ATOM 16 C LIG 1 5.907 2.103 0.321 0.00 0.00 +0.082 A BRANCH 10 17 ATOM 17 N LIG 1 8.202 1.445 -0.010 0.00 0.00 -0.343 N ATOM 18 H LIG 1 8.701 0.580 -0.207 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 8.523 1.879 0.848 0.00 0.00 +0.144 HD ENDBRANCH 10 17 ENDBRANCH 1 13 BRANCH 6 20 ATOM 20 N LIG 1 -1.280 -1.042 0.300 0.00 0.00 -0.310 N ATOM 21 H LIG 1 -1.612 -0.773 1.227 0.00 0.00 +0.149 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.201 -0.478 -0.683 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -3.616 -0.736 -0.244 0.00 0.00 -0.024 A ATOM 24 C LIG 1 -4.320 0.163 0.552 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -3.899 1.456 1.144 0.00 0.00 +0.080 C ATOM 26 C LIG 1 -5.259 1.972 1.615 0.00 0.00 +0.234 C ATOM 27 O LIG 1 -6.155 0.851 1.782 0.00 0.00 -0.491 OA ATOM 28 C LIG 1 -5.607 -0.123 0.988 0.00 0.00 +0.124 A ATOM 29 C LIG 1 -6.249 -1.300 0.664 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -5.565 -2.217 -0.134 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -4.261 -1.940 -0.581 0.00 0.00 +0.005 A ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 5