REMARK Name = BDB026916 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.307 -2.127 1.668 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.429 -3.261 2.681 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.520 -4.594 2.245 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.640 -5.636 3.167 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.675 -5.361 4.533 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.593 -4.043 4.980 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.477 -3.000 4.060 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.012 -1.305 1.909 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.945 -0.432 2.779 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 3.544 0.587 -0.249 0.00 0.00 -0.037 A ATOM 11 C LIG 1 3.252 -0.731 -0.638 0.00 0.00 +0.030 A ATOM 12 C LIG 1 2.091 -1.328 -0.130 0.00 0.00 +0.047 A ATOM 13 C LIG 1 1.222 -0.675 0.743 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.143 -1.575 1.040 0.00 0.00 +0.044 A ATOM 15 C LIG 1 0.404 -2.741 0.341 0.00 0.00 +0.095 A ATOM 16 C LIG 1 1.528 0.648 1.121 0.00 0.00 +0.011 A ATOM 17 N LIG 1 1.575 -2.581 -0.352 0.00 0.00 -0.360 N ATOM 18 H LIG 1 2.006 -3.276 -0.947 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 2.681 1.265 0.619 0.00 0.00 +0.005 A BRANCH 10 20 ATOM 20 C LIG 1 4.792 1.271 -0.771 0.00 0.00 +0.131 C BRANCH 20 23 ATOM 21 C LIG 1 5.678 3.091 -4.020 0.00 0.00 +0.131 C ATOM 22 N LIG 1 5.787 2.493 -2.698 0.00 0.00 -0.307 N ATOM 23 C LIG 1 4.706 1.742 -2.222 0.00 0.00 +0.219 C ATOM 24 O LIG 1 3.750 1.460 -2.946 0.00 0.00 -0.275 OA ATOM 25 C LIG 1 6.859 3.000 -1.856 0.00 0.00 +0.131 C ENDBRANCH 20 23 ENDBRANCH 10 20 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -3.531 -1.275 1.719 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -4.329 -1.909 1.779 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.701 -0.431 0.527 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -3.031 0.947 0.636 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -3.285 1.786 -0.598 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -2.326 1.853 -1.620 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -2.568 2.612 -2.769 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -3.773 3.309 -2.908 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -4.733 3.246 -1.890 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.490 2.488 -0.741 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -4.028 4.084 -4.088 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -4.250 4.708 -5.042 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10