REMARK Name = BDB025277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.893 1.772 1.455 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -3.271 1.496 0.130 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -4.420 0.721 -0.136 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -5.051 0.287 -1.339 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -6.170 -0.449 -0.973 0.00 0.00 +0.142 A ATOM 6 N LIG 1 -6.221 -0.489 0.401 0.00 0.00 -0.313 N ATOM 7 N LIG 1 -7.067 -1.030 -1.798 0.00 0.00 -0.237 NA ATOM 8 C LIG 1 -6.776 -0.855 -3.107 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -5.691 -0.150 -3.608 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -4.801 0.443 -2.714 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -5.170 0.231 0.940 0.00 0.00 +0.052 A ATOM 12 C LIG 1 -4.804 0.491 2.271 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -3.658 1.261 2.507 0.00 0.00 +0.007 A ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 -7.274 -1.170 1.151 0.00 0.00 +0.176 C ATOM 15 C LIG 1 -7.390 -2.638 0.754 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -6.422 -3.390 0.652 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -8.664 -3.142 0.626 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -8.716 -4.119 0.370 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -9.806 -2.621 1.176 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -10.823 -3.298 1.292 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -9.703 -1.222 1.734 0.00 0.00 +0.099 C ATOM 22 C LIG 1 -8.611 -0.433 1.032 0.00 0.00 +0.044 C ENDBRANCH 6 14 BRANCH 1 23 ATOM 23 C LIG 1 -1.647 2.576 1.728 0.00 0.00 +0.142 C BRANCH 23 25 ATOM 24 C LIG 1 0.303 1.666 0.545 0.00 0.00 +0.401 C ATOM 25 N LIG 1 -0.473 1.747 1.657 0.00 0.00 -0.277 N ATOM 26 H LIG 1 -0.335 1.014 2.337 0.00 0.00 +0.152 HD ATOM 27 O LIG 1 0.191 2.358 -0.456 0.00 0.00 -0.226 OA BRANCH 24 28 ATOM 28 O LIG 1 1.221 0.687 0.720 0.00 0.00 -0.448 OA BRANCH 28 29 ATOM 29 C LIG 1 2.116 0.474 -0.387 0.00 0.00 +0.262 C BRANCH 29 30 ATOM 30 C LIG 1 3.227 1.524 -0.418 0.00 0.00 +0.201 C BRANCH 30 31 ATOM 31 O LIG 1 4.085 1.332 0.714 0.00 0.00 -0.375 OA BRANCH 31 32 ATOM 32 C LIG 1 5.093 2.342 0.836 0.00 0.00 +0.178 C BRANCH 32 33 ATOM 33 C LIG 1 6.263 2.101 -0.118 0.00 0.00 +0.135 C BRANCH 33 35 ATOM 34 C LIG 1 8.025 0.432 -0.494 0.00 0.00 +0.401 C ATOM 35 N LIG 1 6.849 0.794 0.085 0.00 0.00 -0.279 N ATOM 36 H LIG 1 6.253 0.034 0.388 0.00 0.00 +0.152 HD ATOM 37 O LIG 1 8.769 1.191 -1.094 0.00 0.00 -0.226 OA BRANCH 34 38 ATOM 38 O LIG 1 8.212 -0.893 -0.305 0.00 0.00 -0.445 OA BRANCH 38 40 ATOM 39 C LIG 1 9.234 -3.024 -0.401 0.00 0.00 +0.055 C ATOM 40 C LIG 1 9.394 -1.556 -0.823 0.00 0.00 +0.107 C ATOM 41 C LIG 1 9.445 -1.490 -2.353 0.00 0.00 +0.055 C ATOM 42 C LIG 1 10.671 -0.999 -0.182 0.00 0.00 +0.055 C ENDBRANCH 38 40 ENDBRANCH 34 38 ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 12