REMARK Name = BDB004073 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.231 -1.637 0.401 0.00 0.00 +0.134 A ATOM 2 C LIG 1 0.158 -1.718 0.166 0.00 0.00 +0.041 A ATOM 3 C LIG 1 0.967 -1.751 1.310 0.00 0.00 +0.079 A ATOM 4 C LIG 1 2.348 -1.840 1.161 0.00 0.00 +0.074 A ATOM 5 C LIG 1 2.954 -1.892 -0.095 0.00 0.00 +0.123 A ATOM 6 C LIG 1 2.154 -1.843 -1.232 0.00 0.00 +0.046 A ATOM 7 N LIG 1 0.466 -1.701 2.547 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 -0.863 -1.604 2.654 0.00 0.00 +0.223 A ATOM 9 C LIG 1 0.769 -1.754 -1.111 0.00 0.00 +0.017 A ATOM 10 N LIG 1 -1.737 -1.571 1.646 0.00 0.00 -0.220 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -2.115 -1.645 -0.713 0.00 0.00 -0.299 N ATOM 12 H LIG 1 -1.908 -2.458 -1.283 0.00 0.00 +0.154 HD BRANCH 11 17 ATOM 13 C LIG 1 -7.661 -0.421 -1.291 0.00 0.00 +0.074 A ATOM 14 C LIG 1 -6.253 -0.617 -0.987 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -5.649 -1.510 -1.876 0.00 0.00 +0.022 A ATOM 16 C LIG 1 -4.284 -1.856 -1.776 0.00 0.00 +0.039 A ATOM 17 C LIG 1 -3.493 -1.326 -0.746 0.00 0.00 +0.033 A ATOM 18 C LIG 1 -4.073 -0.406 0.121 0.00 0.00 +0.024 A ATOM 19 S LIG 1 -6.765 -2.085 -3.050 0.00 0.00 -0.096 S ATOM 20 C LIG 1 -5.428 -0.060 0.022 0.00 0.00 +0.011 A ATOM 21 C LIG 1 -8.039 -1.173 -2.389 0.00 0.00 +0.061 A BRANCH 13 22 ATOM 22 C LIG 1 -8.585 0.447 -0.558 0.00 0.00 +0.340 C ATOM 23 O LIG 1 -8.261 1.122 0.411 0.00 0.00 -0.245 OA BRANCH 22 24 ATOM 24 O LIG 1 -9.850 0.424 -1.078 0.00 0.00 -0.461 OA BRANCH 24 26 ATOM 25 C LIG 1 -10.776 2.659 -0.970 0.00 0.00 +0.048 C ATOM 26 C LIG 1 -10.818 1.249 -0.413 0.00 0.00 +0.229 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 13 22 ENDBRANCH 11 17 ENDBRANCH 1 11 BRANCH 5 27 ATOM 27 O LIG 1 4.293 -1.977 -0.351 0.00 0.00 -0.492 OA BRANCH 27 28 ATOM 28 C LIG 1 5.203 -2.089 0.743 0.00 0.00 +0.230 C BRANCH 28 29 ATOM 29 C LIG 1 5.604 -0.725 1.308 0.00 0.00 +0.056 C BRANCH 29 30 ATOM 30 C LIG 1 6.223 0.178 0.231 0.00 0.00 +0.087 C BRANCH 30 31 ATOM 31 N LIG 1 6.612 1.498 0.768 0.00 0.00 -0.303 NA BRANCH 31 32 ATOM 32 C LIG 1 6.623 2.522 -0.292 0.00 0.00 +0.081 C ATOM 33 C LIG 1 7.675 2.354 -1.384 0.00 0.00 +0.020 C ENDBRANCH 31 32 BRANCH 31 34 ATOM 34 C LIG 1 7.863 1.427 1.540 0.00 0.00 +0.081 C ATOM 35 C LIG 1 8.228 2.733 2.240 0.00 0.00 +0.020 C ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 12