REMARK Name = BDB001402 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.839 -0.405 -0.660 0.00 0.00 -0.260 N ATOM 2 C LIG 1 1.707 -1.077 -0.002 0.00 0.00 +0.192 C ATOM 3 C LIG 1 1.962 -2.526 -0.383 0.00 0.00 +0.019 A ATOM 4 C LIG 1 3.034 -2.609 -1.264 0.00 0.00 +0.045 A ATOM 5 C LIG 1 3.477 -3.803 -1.806 0.00 0.00 +0.013 A ATOM 6 C LIG 1 2.799 -4.965 -1.440 0.00 0.00 +0.001 A ATOM 7 C LIG 1 1.706 -4.905 -0.558 0.00 0.00 +0.000 A ATOM 8 C LIG 1 1.277 -3.682 -0.028 0.00 0.00 +0.009 A ATOM 9 C LIG 1 3.560 -1.263 -1.473 0.00 0.00 +0.250 C ATOM 10 O LIG 1 4.492 -0.999 -2.209 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 11 ATOM 11 C LIG 1 1.674 -0.922 1.524 0.00 0.00 +0.007 A ATOM 12 C LIG 1 2.856 -0.750 2.268 0.00 0.00 +0.008 A ATOM 13 C LIG 1 2.822 -0.635 3.660 0.00 0.00 +0.000 A ATOM 14 C LIG 1 1.608 -0.707 4.337 0.00 0.00 +0.000 A ATOM 15 C LIG 1 0.428 -0.904 3.626 0.00 0.00 +0.000 A ATOM 16 C LIG 1 0.462 -1.020 2.235 0.00 0.00 +0.008 A ENDBRANCH 2 11 BRANCH 1 17 ATOM 17 C LIG 1 3.040 1.041 -0.660 0.00 0.00 +0.130 C BRANCH 17 18 ATOM 18 C LIG 1 4.517 1.474 -0.630 0.00 0.00 +0.123 C BRANCH 18 21 ATOM 19 C LIG 1 4.616 5.201 0.085 0.00 0.00 +0.109 C ATOM 20 C LIG 1 4.110 3.915 -0.513 0.00 0.00 +0.210 C ATOM 21 N LIG 1 4.743 2.788 -0.041 0.00 0.00 -0.314 N ATOM 22 H LIG 1 5.621 2.917 0.445 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 3.207 3.896 -1.343 0.00 0.00 -0.276 OA ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 24 ATOM 24 O LIG 1 0.480 -0.788 -0.673 0.00 0.00 -0.343 OA BRANCH 24 25 ATOM 25 C LIG 1 -0.016 0.541 -0.607 0.00 0.00 +0.198 C BRANCH 25 26 ATOM 26 C LIG 1 -1.525 0.497 -0.587 0.00 0.00 -0.022 A ATOM 27 C LIG 1 -2.250 1.278 0.319 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -3.650 1.251 0.330 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -4.374 0.449 -0.567 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -3.631 -0.323 -1.480 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -2.233 -0.297 -1.494 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 -5.911 0.396 -0.583 0.00 0.00 -0.013 C ATOM 33 C LIG 1 -6.433 0.856 -1.962 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -6.578 1.296 0.481 0.00 0.00 +0.015 C ATOM 35 C LIG 1 -6.383 -1.050 -0.318 0.00 0.00 +0.015 C ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 8