REMARK Name = BDB039490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.664 0.286 0.140 0.00 0.00 +0.074 A ATOM 2 N LIG 1 -1.466 1.377 0.154 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -2.695 1.163 0.659 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -3.204 -0.037 1.148 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -4.540 0.226 1.563 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -4.805 1.556 1.321 0.00 0.00 +0.088 A ATOM 7 C LIG 1 -2.365 -1.169 1.123 0.00 0.00 -0.021 A ATOM 8 N LIG 1 -3.675 2.121 0.777 0.00 0.00 -0.329 N ATOM 9 C LIG 1 -1.070 -0.968 0.604 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.311 0.281 -0.964 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.623 1.070 -1.875 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.078 1.706 -2.806 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.205 1.004 -1.506 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.075 0.123 -0.436 0.00 0.00 -0.017 A ATOM 15 C LIG 1 1.829 -0.128 0.117 0.00 0.00 +0.016 A ATOM 16 C LIG 1 0.690 0.517 -0.415 0.00 0.00 +0.001 A ATOM 17 C LIG 1 0.871 1.414 -1.503 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.129 1.662 -2.061 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.410 -0.433 -0.068 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 10.056 -2.446 -0.728 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.111 -1.685 -0.909 0.00 0.00 +0.219 C ATOM 22 N LIG 1 8.143 -1.966 -1.839 0.00 0.00 -0.255 N ATOM 23 H LIG 1 8.234 -2.873 -2.279 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 6.867 -1.450 -1.848 0.00 0.00 +0.240 C ATOM 25 O LIG 1 5.950 -2.076 -2.373 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.709 -0.084 -1.159 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.495 -0.095 0.149 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.959 -0.390 -0.145 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 8 29 ATOM 29 C LIG 1 -3.530 3.509 0.367 0.00 0.00 +0.089 C ATOM 30 C LIG 1 -3.926 4.529 1.451 0.00 0.00 +0.025 C ATOM 31 C LIG 1 -5.145 5.256 0.896 0.00 0.00 +0.002 C ATOM 32 C LIG 1 -4.909 5.252 -0.605 0.00 0.00 +0.002 C ATOM 33 C LIG 1 -4.376 3.852 -0.871 0.00 0.00 +0.025 C ENDBRANCH 8 29 BRANCH 7 34 ATOM 34 C LIG 1 -2.776 -2.536 1.624 0.00 0.00 +0.120 C BRANCH 34 35 ATOM 35 N LIG 1 -2.581 -3.599 0.621 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -2.845 -4.926 1.197 0.00 0.00 +0.085 C ATOM 37 C LIG 1 -4.348 -5.141 1.094 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -4.807 -4.204 -0.014 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -3.543 -3.504 -0.490 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 7 34 TORSDOF 5