REMARK Name = BDB052186 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.476 -1.310 -0.170 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.650 -0.992 0.590 0.00 0.00 +0.050 A ATOM 3 C LIG 1 -1.921 -1.001 -0.003 0.00 0.00 -0.027 A ATOM 4 C LIG 1 -2.031 -1.327 -1.365 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.899 -1.671 -2.110 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.357 -1.672 -1.509 0.00 0.00 +0.045 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.718 -1.328 0.403 0.00 0.00 -0.486 OA BRANCH 7 8 ATOM 8 C LIG 1 2.238 0.007 0.508 0.00 0.00 +0.288 C BRANCH 8 13 ATOM 9 C LIG 1 5.731 0.618 0.810 0.00 0.00 +0.228 A ATOM 10 O LIG 1 5.683 -0.373 1.756 0.00 0.00 -0.440 OA ATOM 11 C LIG 1 4.373 -0.762 1.776 0.00 0.00 +0.129 A ATOM 12 C LIG 1 4.005 -1.834 2.717 0.00 0.00 +0.088 C ATOM 13 C LIG 1 3.687 0.005 0.857 0.00 0.00 +0.120 A ATOM 14 N LIG 1 4.565 0.882 0.251 0.00 0.00 -0.210 NA BRANCH 9 18 ATOM 15 C LIG 1 9.514 2.502 0.089 0.00 0.00 +0.120 A ATOM 16 C LIG 1 8.374 2.887 -0.617 0.00 0.00 +0.046 A ATOM 17 C LIG 1 7.144 2.263 -0.382 0.00 0.00 +0.017 A ATOM 18 C LIG 1 7.031 1.241 0.570 0.00 0.00 +0.037 A ATOM 19 C LIG 1 8.183 0.858 1.272 0.00 0.00 +0.017 A ATOM 20 C LIG 1 9.416 1.481 1.034 0.00 0.00 +0.046 A BRANCH 15 22 ATOM 21 C LIG 1 11.838 2.842 0.458 0.00 0.00 +0.277 C ATOM 22 O LIG 1 10.645 3.201 -0.228 0.00 0.00 -0.495 OA ENDBRANCH 15 22 ENDBRANCH 9 18 ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 23 ATOM 23 C LIG 1 -3.142 -0.628 0.807 0.00 0.00 +0.147 C BRANCH 23 24 ATOM 24 N LIG 1 -4.211 -1.615 0.694 0.00 0.00 -0.252 N ATOM 25 C LIG 1 -5.428 -1.351 0.085 0.00 0.00 +0.409 C ATOM 26 O LIG 1 -6.369 -2.137 0.112 0.00 0.00 -0.226 OA BRANCH 25 27 ATOM 27 O LIG 1 -5.444 -0.121 -0.567 0.00 0.00 -0.411 OA BRANCH 27 28 ATOM 28 C LIG 1 -6.637 0.269 -1.192 0.00 0.00 +0.133 A ATOM 29 C LIG 1 -6.565 0.621 -2.538 0.00 0.00 +0.047 A ATOM 30 C LIG 1 -7.712 1.075 -3.189 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -8.926 1.188 -2.495 0.00 0.00 -0.050 A ATOM 32 C LIG 1 -10.151 1.677 -3.210 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -8.972 0.852 -1.135 0.00 0.00 +0.007 A ATOM 34 C LIG 1 -7.826 0.397 -0.479 0.00 0.00 +0.047 A ENDBRANCH 27 28 ENDBRANCH 25 27 BRANCH 24 35 ATOM 35 C LIG 1 -4.074 -2.869 1.434 0.00 0.00 +0.231 C BRANCH 35 36 ATOM 36 C LIG 1 -4.555 -2.799 2.879 0.00 0.00 +0.322 C ATOM 37 O LIG 1 -4.561 -3.734 3.667 0.00 0.00 -0.249 OA BRANCH 36 38 ATOM 38 O LIG 1 -4.971 -1.581 3.284 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -5.280 -1.734 4.202 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 24 35 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 12