REMARK Name = BDB004990 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.683 -2.089 0.098 0.00 0.00 +0.104 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.836 -1.369 1.147 0.00 0.00 -0.025 A ATOM 3 C LIG 1 0.464 -0.940 0.824 0.00 0.00 +0.028 A ATOM 4 C LIG 1 1.274 -0.291 1.766 0.00 0.00 +0.034 A ATOM 5 C LIG 1 0.776 -0.079 3.051 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -0.515 -0.495 3.388 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -1.316 -1.134 2.443 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 2.562 0.103 1.344 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.779 -0.092 0.376 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 3.508 0.803 2.071 0.00 0.00 +0.248 C ATOM 11 O LIG 1 3.382 1.258 3.201 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 4.793 1.044 1.356 0.00 0.00 +0.037 A ATOM 13 C LIG 1 5.348 0.095 0.491 0.00 0.00 +0.016 A ATOM 14 C LIG 1 6.556 0.369 -0.157 0.00 0.00 +0.046 A ATOM 15 C LIG 1 7.225 1.578 0.057 0.00 0.00 +0.120 A ATOM 16 C LIG 1 6.680 2.516 0.933 0.00 0.00 +0.046 A ATOM 17 C LIG 1 5.470 2.248 1.585 0.00 0.00 +0.016 A BRANCH 15 18 ATOM 18 O LIG 1 8.393 1.713 -0.642 0.00 0.00 -0.495 OA ATOM 19 C LIG 1 9.129 2.913 -0.439 0.00 0.00 +0.277 C ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 -3.021 -1.480 0.010 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -3.663 -2.079 -0.501 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.096 -0.211 -0.619 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -4.330 0.473 -0.623 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -4.364 1.713 -1.291 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -5.593 2.407 -1.313 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -6.741 1.886 -0.684 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -6.691 0.673 -0.017 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -3.249 2.201 -1.880 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -2.129 1.473 -1.800 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -5.493 -0.026 0.015 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -2.001 0.288 -1.210 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -5.777 3.728 -1.993 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -6.865 4.295 -2.013 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -4.701 4.304 -2.599 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -4.812 5.199 -3.052 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -3.791 3.850 -2.586 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 -1.809 -3.573 0.516 0.00 0.00 +0.055 C BRANCH 37 38 ATOM 38 C LIG 1 -2.368 -4.478 -0.580 0.00 0.00 +0.161 C BRANCH 38 40 ATOM 39 C LIG 1 -0.430 -5.128 -1.796 0.00 0.00 +0.193 C ATOM 40 O LIG 1 -1.639 -4.380 -1.800 0.00 0.00 -0.383 OA ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 10