REMARK Name = BDB001397 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.273 -1.998 0.902 0.00 0.00 -0.262 N ATOM 2 C LIG 1 0.380 -1.118 -0.259 0.00 0.00 +0.192 C ATOM 3 C LIG 1 0.684 -2.091 -1.376 0.00 0.00 +0.019 A ATOM 4 C LIG 1 0.711 -3.390 -0.868 0.00 0.00 +0.045 A ATOM 5 C LIG 1 0.964 -4.496 -1.658 0.00 0.00 +0.013 A ATOM 6 C LIG 1 1.196 -4.273 -3.016 0.00 0.00 +0.001 A ATOM 7 C LIG 1 1.173 -2.969 -3.544 0.00 0.00 +0.000 A ATOM 8 C LIG 1 0.915 -1.865 -2.724 0.00 0.00 +0.009 A ATOM 9 C LIG 1 0.456 -3.330 0.576 0.00 0.00 +0.250 C ATOM 10 O LIG 1 0.443 -4.295 1.315 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 11 ATOM 11 C LIG 1 -0.931 -0.360 -0.516 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -0.975 1.040 -0.570 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -2.176 1.719 -0.813 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -3.386 1.032 -1.015 0.00 0.00 -0.042 A ATOM 15 C LIG 1 -3.340 -0.367 -0.963 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -2.139 -1.049 -0.720 0.00 0.00 +0.009 A BRANCH 14 17 ATOM 17 C LIG 1 -4.684 1.815 -1.280 0.00 0.00 -0.013 C ATOM 18 C LIG 1 -5.924 0.915 -1.484 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -4.985 2.742 -0.083 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -4.525 2.668 -2.557 0.00 0.00 +0.015 C ENDBRANCH 14 17 ENDBRANCH 2 11 BRANCH 1 21 ATOM 21 C LIG 1 0.058 -1.517 2.256 0.00 0.00 +0.111 C BRANCH 21 23 ATOM 22 C LIG 1 -1.527 -1.326 4.202 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -1.365 -1.762 2.755 0.00 0.00 +0.016 C ENDBRANCH 21 23 ENDBRANCH 1 21 BRANCH 2 24 ATOM 24 O LIG 1 1.443 -0.182 -0.039 0.00 0.00 -0.343 OA BRANCH 24 25 ATOM 25 C LIG 1 2.753 -0.714 0.100 0.00 0.00 +0.201 C BRANCH 25 26 ATOM 26 C LIG 1 3.664 0.430 0.477 0.00 0.00 +0.012 A ATOM 27 C LIG 1 3.788 1.605 -0.312 0.00 0.00 +0.135 A ATOM 28 C LIG 1 4.607 2.681 0.063 0.00 0.00 +0.082 A ATOM 29 C LIG 1 5.310 2.546 1.238 0.00 0.00 +0.168 A ATOM 30 O LIG 1 6.155 3.470 1.767 0.00 0.00 -0.453 OA ATOM 31 C LIG 1 6.577 2.798 2.973 0.00 0.00 +0.466 C ATOM 32 O LIG 1 5.990 1.489 3.131 0.00 0.00 -0.453 OA ATOM 33 C LIG 1 5.216 1.415 2.015 0.00 0.00 +0.167 A ATOM 34 C LIG 1 4.410 0.348 1.668 0.00 0.00 +0.057 A BRANCH 27 35 ATOM 35 N LIG 1 3.055 1.739 -1.563 0.00 0.00 +0.057 N ATOM 36 O LIG 1 3.220 0.856 -2.416 0.00 0.00 -0.126 OA ATOM 37 O LIG 1 2.348 2.747 -1.699 0.00 0.00 -0.126 OA ENDBRANCH 27 35 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 8