REMARK Name = BDB026917 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.119 -1.402 -0.448 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.216 -2.811 -1.018 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.146 -3.050 -2.400 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.247 -4.348 -2.903 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.427 -5.422 -2.035 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.508 -5.200 -0.662 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.406 -3.904 -0.155 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.848 -0.675 -0.982 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.913 0.041 -1.989 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.369 0.656 -0.608 0.00 0.00 -0.037 A ATOM 11 C LIG 1 3.974 -0.325 0.317 0.00 0.00 +0.030 A ATOM 12 C LIG 1 2.636 -0.740 0.314 0.00 0.00 +0.047 A ATOM 13 C LIG 1 1.685 -0.235 -0.572 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.434 -0.885 -0.290 0.00 0.00 +0.044 A ATOM 15 C LIG 1 0.677 -1.755 0.760 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.099 0.745 -1.497 0.00 0.00 +0.011 A ATOM 17 N LIG 1 1.997 -1.654 1.114 0.00 0.00 -0.360 N ATOM 18 H LIG 1 2.446 -2.171 1.858 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.431 1.181 -1.504 0.00 0.00 +0.005 A BRANCH 10 20 ATOM 20 C LIG 1 5.810 1.122 -0.652 0.00 0.00 +0.131 C BRANCH 20 23 ATOM 21 C LIG 1 8.408 2.426 -0.669 0.00 0.00 +0.131 C ATOM 22 N LIG 1 7.600 2.376 0.540 0.00 0.00 -0.307 N ATOM 23 C LIG 1 6.297 1.869 0.590 0.00 0.00 +0.219 C ATOM 24 O LIG 1 5.595 2.004 1.593 0.00 0.00 -0.275 OA ATOM 25 C LIG 1 8.049 3.213 1.641 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 -3.306 -0.568 -0.761 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.335 -0.412 -1.769 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.570 -1.115 -0.270 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -5.723 -0.110 -0.436 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -5.695 1.015 0.574 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -6.482 0.949 1.732 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.449 1.984 2.671 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.626 3.095 2.463 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -4.834 3.164 1.314 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.869 2.130 0.376 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -5.593 4.155 3.427 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -5.572 5.011 4.211 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10