REMARK Name = BDB027046 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.966 2.016 -1.047 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -2.936 2.593 -1.556 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 3.319 0.671 -1.636 0.00 0.00 +0.123 A ATOM 4 C LIG 1 2.604 0.826 -2.827 0.00 0.00 +0.071 A ATOM 5 C LIG 1 1.250 1.180 -2.760 0.00 0.00 +0.051 A ATOM 6 C LIG 1 0.570 1.380 -1.554 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.791 1.714 -1.883 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -0.861 1.731 -3.269 0.00 0.00 +0.095 A ATOM 9 C LIG 1 1.321 1.233 -0.367 0.00 0.00 +0.014 A ATOM 10 N LIG 1 0.358 1.400 -3.780 0.00 0.00 -0.360 N ATOM 11 H LIG 1 0.584 1.336 -4.764 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 2.680 0.875 -0.419 0.00 0.00 +0.046 A BRANCH 3 13 ATOM 13 O LIG 1 4.628 0.318 -1.817 0.00 0.00 -0.489 OA BRANCH 13 18 ATOM 14 C LIG 1 8.554 -1.070 1.906 0.00 0.00 +0.104 C ATOM 15 N LIG 1 7.495 -0.554 1.041 0.00 0.00 -0.305 NA ATOM 16 C LIG 1 6.298 -1.406 1.113 0.00 0.00 +0.087 C ATOM 17 C LIG 1 5.356 -1.231 -0.083 0.00 0.00 +0.060 C ATOM 18 C LIG 1 5.481 0.170 -0.676 0.00 0.00 +0.176 C ATOM 19 C LIG 1 6.926 0.396 -1.154 0.00 0.00 +0.060 C ATOM 20 C LIG 1 7.957 -0.387 -0.336 0.00 0.00 +0.087 C ENDBRANCH 13 18 ENDBRANCH 3 13 ENDBRANCH 1 7 BRANCH 1 21 ATOM 21 C LIG 1 -1.986 1.664 0.463 0.00 0.00 +0.156 C BRANCH 21 22 ATOM 22 C LIG 1 -1.730 0.206 0.825 0.00 0.00 -0.023 A ATOM 23 C LIG 1 -1.968 -0.856 -0.061 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -1.723 -2.176 0.324 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -1.249 -2.457 1.603 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -1.022 -1.419 2.502 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -1.264 -0.099 2.118 0.00 0.00 +0.005 A ENDBRANCH 21 22 BRANCH 21 28 ATOM 28 N LIG 1 -3.184 2.253 1.138 0.00 0.00 -0.303 NA ATOM 29 H LIG 1 -3.438 3.092 0.607 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.378 1.404 1.246 0.00 0.00 +0.086 C BRANCH 30 31 ATOM 31 C LIG 1 -5.107 1.088 -0.068 0.00 0.00 +0.050 C BRANCH 31 32 ATOM 32 C LIG 1 -6.334 0.236 0.166 0.00 0.00 -0.046 A ATOM 33 C LIG 1 -6.204 -1.139 0.409 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -7.334 -1.928 0.637 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -8.606 -1.349 0.626 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -8.743 0.021 0.389 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -7.612 0.810 0.161 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -9.766 -2.159 0.860 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -10.705 -2.815 1.048 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 21 28 ENDBRANCH 1 21 TORSDOF 10