REMARK Name = BDB013086 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.781 0.397 0.294 0.00 0.00 +0.046 A ATOM 2 C LIG 1 0.771 -0.508 -0.137 0.00 0.00 +0.173 A ATOM 3 N LIG 1 -0.468 -0.392 0.445 0.00 0.00 -0.253 N ATOM 4 C LIG 1 -1.213 -1.409 -0.072 0.00 0.00 +0.232 A ATOM 5 N LIG 1 -0.512 -2.058 -0.975 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -0.780 0.593 1.386 0.00 0.00 +0.203 A ATOM 7 N LIG 1 0.146 1.421 1.788 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.744 -1.491 -1.014 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 1.402 1.304 1.224 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 5.724 0.417 -1.315 0.00 0.00 +0.069 A ATOM 11 N LIG 1 4.664 0.273 -2.145 0.00 0.00 -0.257 NA ATOM 12 C LIG 1 3.426 0.257 -1.588 0.00 0.00 +0.119 A ATOM 13 C LIG 1 3.166 0.415 -0.228 0.00 0.00 +0.005 A ATOM 14 C LIG 1 4.280 0.565 0.604 0.00 0.00 +0.012 A ATOM 15 C LIG 1 5.566 0.570 0.061 0.00 0.00 +0.026 A BRANCH 10 17 ATOM 16 C LIG 1 7.966 -0.742 -1.500 0.00 0.00 +0.044 C ATOM 17 C LIG 1 7.101 0.428 -1.949 0.00 0.00 +0.160 C BRANCH 17 18 ATOM 18 O LIG 1 7.778 1.650 -1.641 0.00 0.00 -0.386 OA ATOM 19 H LIG 1 7.154 2.363 -1.865 0.00 0.00 +0.210 HD ENDBRANCH 17 18 ENDBRANCH 10 17 ENDBRANCH 1 13 BRANCH 6 20 ATOM 20 N LIG 1 -2.050 0.692 1.908 0.00 0.00 -0.310 N ATOM 21 H LIG 1 -2.006 1.310 2.717 0.00 0.00 +0.149 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.150 1.139 1.055 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -4.341 0.230 1.200 0.00 0.00 -0.024 A ATOM 24 C LIG 1 -5.049 -0.238 0.095 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -4.799 -0.057 -1.357 0.00 0.00 +0.080 C ATOM 26 C LIG 1 -6.117 -0.594 -1.913 0.00 0.00 +0.234 C ATOM 27 O LIG 1 -6.720 -1.468 -0.934 0.00 0.00 -0.491 OA ATOM 28 C LIG 1 -6.148 -1.074 0.248 0.00 0.00 +0.124 A ATOM 29 C LIG 1 -6.600 -1.478 1.486 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -5.927 -1.004 2.610 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -4.815 -0.155 2.469 0.00 0.00 +0.005 A ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 6 20 TORSDOF 6