REMARK Name = BDB046537 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.362 -1.637 -0.332 0.00 0.00 -0.265 N ATOM 2 C LIG 1 0.426 -3.058 -0.251 0.00 0.00 +0.078 A ATOM 3 C LIG 1 -0.573 -3.747 0.454 0.00 0.00 +0.143 A ATOM 4 C LIG 1 -0.516 -5.132 0.622 0.00 0.00 +0.047 A ATOM 5 C LIG 1 0.530 -5.858 0.061 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.524 -5.195 -0.653 0.00 0.00 +0.002 A ATOM 7 O LIG 1 -1.621 -3.119 1.072 0.00 0.00 -0.478 OA ATOM 8 C LIG 1 -1.958 -1.883 0.443 0.00 0.00 +0.262 C ATOM 9 C LIG 1 1.477 -3.804 -0.802 0.00 0.00 +0.027 A ATOM 10 C LIG 1 -0.747 -0.970 0.193 0.00 0.00 +0.261 C ATOM 11 O LIG 1 -0.784 0.250 0.353 0.00 0.00 -0.271 OA ENDROOT BRANCH 1 12 ATOM 12 C LIG 1 1.506 -0.841 -0.770 0.00 0.00 +0.114 C BRANCH 12 13 ATOM 13 C LIG 1 2.528 -0.635 0.350 0.00 0.00 +0.019 C BRANCH 13 14 ATOM 14 C LIG 1 3.709 0.213 -0.126 0.00 0.00 +0.002 C BRANCH 14 15 ATOM 15 C LIG 1 4.719 0.440 1.002 0.00 0.00 +0.002 C BRANCH 15 16 ATOM 16 C LIG 1 5.982 1.173 0.544 0.00 0.00 +0.019 C BRANCH 16 17 ATOM 17 C LIG 1 5.721 2.608 0.092 0.00 0.00 +0.104 C BRANCH 17 20 ATOM 18 C LIG 1 8.876 3.879 -1.579 0.00 0.00 +0.109 C ATOM 19 C LIG 1 7.569 3.144 -1.453 0.00 0.00 +0.210 C ATOM 20 N LIG 1 6.956 3.295 -0.230 0.00 0.00 -0.316 N ATOM 21 H LIG 1 7.449 3.769 0.515 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 7.117 2.459 -2.364 0.00 0.00 -0.276 OA ENDBRANCH 17 20 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 1 12 BRANCH 8 23 ATOM 23 C LIG 1 -3.020 -1.215 1.322 0.00 0.00 +0.095 C BRANCH 23 24 ATOM 24 C LIG 1 -3.832 -0.158 0.580 0.00 0.00 +0.233 C BRANCH 24 25 ATOM 25 O LIG 1 -4.823 0.363 1.480 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 -6.073 0.337 0.921 0.00 0.00 +0.124 A ATOM 27 C LIG 1 -6.657 1.531 0.475 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -7.946 1.480 -0.076 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -8.639 0.269 -0.152 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -8.056 -0.903 0.326 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.774 -0.870 0.869 0.00 0.00 +0.046 A BRANCH 27 32 ATOM 32 C LIG 1 -5.916 2.844 0.557 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 -4.878 3.020 -0.523 0.00 0.00 +0.309 C ATOM 34 O LIG 1 -4.681 2.324 -1.506 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -4.123 4.122 -0.318 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -3.480 4.104 -1.058 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 8 23 TORSDOF 14