REMARK Name = BDB016760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.806 -1.823 -1.424 0.00 0.00 -0.041 A ATOM 2 C LIG 1 4.689 -0.506 -1.906 0.00 0.00 +0.031 A ATOM 3 C LIG 1 3.489 0.185 -1.697 0.00 0.00 +0.067 A ATOM 4 C LIG 1 2.387 -0.371 -1.060 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.397 0.662 -1.073 0.00 0.00 +0.093 A ATOM 6 N LIG 1 1.871 1.784 -1.634 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 2.497 -1.691 -0.584 0.00 0.00 +0.012 A ATOM 8 N LIG 1 3.115 1.460 -2.015 0.00 0.00 -0.276 N ATOM 9 H LIG 1 3.672 2.166 -2.483 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.697 -2.394 -0.780 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 7.363 0.767 1.513 0.00 0.00 +0.120 A ATOM 12 C LIG 1 6.862 -0.371 0.863 0.00 0.00 +0.052 A ATOM 13 C LIG 1 7.616 -0.978 -0.130 0.00 0.00 -0.007 A ATOM 14 C LIG 1 7.399 -2.180 -1.005 0.00 0.00 +0.081 C ATOM 15 C LIG 1 6.084 -2.603 -1.629 0.00 0.00 +0.040 C ATOM 16 C LIG 1 8.671 -2.276 -1.816 0.00 0.00 +0.228 C ATOM 17 N LIG 1 9.476 -1.217 -1.438 0.00 0.00 -0.284 N ATOM 18 H LIG 1 10.391 -1.061 -1.831 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 8.917 -3.135 -2.646 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.696 -3.407 -0.499 0.00 0.00 +0.031 C ATOM 21 C LIG 1 8.874 -0.444 -0.443 0.00 0.00 +0.038 A ATOM 22 C LIG 1 9.401 0.670 0.176 0.00 0.00 +0.027 A ATOM 23 C LIG 1 8.626 1.282 1.167 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 6.963 2.451 3.148 0.00 0.00 +0.277 C ATOM 25 O LIG 1 6.528 1.281 2.468 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 0.063 0.609 -0.550 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -0.735 -0.470 -0.499 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 -2.104 -0.453 0.034 0.00 0.00 -0.025 A ATOM 29 C LIG 1 -2.991 0.602 -0.213 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -4.300 0.573 0.286 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -4.742 -0.517 1.034 0.00 0.00 +0.121 A ATOM 32 C LIG 1 -3.867 -1.580 1.264 0.00 0.00 +0.046 A ATOM 33 C LIG 1 -2.560 -1.553 0.766 0.00 0.00 +0.011 A BRANCH 31 34 ATOM 34 O LIG 1 -5.987 -0.682 1.573 0.00 0.00 -0.491 OA BRANCH 34 35 ATOM 35 C LIG 1 -6.918 0.401 1.494 0.00 0.00 +0.244 C BRANCH 35 36 ATOM 36 C LIG 1 -7.742 0.318 0.197 0.00 0.00 +0.125 C BRANCH 36 37 ATOM 37 N LIG 1 -8.679 1.440 0.010 0.00 0.00 -0.295 NA ATOM 38 C LIG 1 -9.321 1.397 -1.323 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -10.738 0.802 -1.303 0.00 0.00 +0.175 C ATOM 40 O LIG 1 -11.642 1.526 -0.458 0.00 0.00 -0.377 OA ATOM 41 C LIG 1 -10.982 2.209 0.617 0.00 0.00 +0.175 C ATOM 42 C LIG 1 -9.705 1.489 1.077 0.00 0.00 +0.112 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 8