REMARK Name = BDB024404 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.100 1.377 -1.375 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.593 1.471 -2.811 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.237 0.469 -3.338 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.697 0.544 -4.654 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.330 1.618 -5.462 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.499 2.617 -4.956 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.960 2.543 -3.641 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.523 2.666 0.132 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.662 3.570 0.562 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.654 2.625 -0.556 0.00 0.00 +0.240 C ATOM 11 O LIG 1 1.339 3.659 -0.498 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -3.572 -0.097 0.728 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -2.413 -0.403 0.030 0.00 0.00 +0.121 A ATOM 14 N LIG 1 -1.396 0.470 -0.186 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -1.522 1.712 0.308 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -2.647 2.104 1.032 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -3.681 1.190 1.244 0.00 0.00 +0.013 A BRANCH 12 20 ATOM 18 C LIG 1 -4.838 -1.255 3.525 0.00 0.00 +0.068 C ATOM 19 C LIG 1 -5.191 -1.583 2.121 0.00 0.00 +0.068 A ATOM 20 C LIG 1 -4.620 -1.073 0.924 0.00 0.00 +0.027 A ATOM 21 C LIG 1 -5.309 -1.704 -0.096 0.00 0.00 +0.041 A ATOM 22 C LIG 1 -5.231 -1.611 -1.573 0.00 0.00 +0.065 C ATOM 23 N LIG 1 -6.208 -2.527 0.527 0.00 0.00 -0.281 N ATOM 24 H LIG 1 -6.889 -3.147 0.100 0.00 0.00 +0.189 HD ATOM 25 N LIG 1 -6.159 -2.470 1.865 0.00 0.00 -0.178 NA ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 2.585 1.260 -1.390 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 2.852 0.593 -2.110 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.143 0.877 -0.088 0.00 0.00 +0.089 C BRANCH 28 29 ATOM 29 C LIG 1 3.629 -0.593 -0.012 0.00 0.00 +0.030 C ATOM 30 C LIG 1 2.505 -1.612 -0.234 0.00 0.00 +0.014 C BRANCH 29 31 ATOM 31 C LIG 1 4.344 -0.852 1.309 0.00 0.00 -0.043 A ATOM 32 C LIG 1 5.727 -1.090 1.316 0.00 0.00 +0.005 A ATOM 33 C LIG 1 6.404 -1.324 2.516 0.00 0.00 +0.019 A ATOM 34 C LIG 1 5.708 -1.321 3.727 0.00 0.00 +0.052 A ATOM 35 C LIG 1 4.331 -1.082 3.732 0.00 0.00 +0.019 A ATOM 36 C LIG 1 3.655 -0.848 2.532 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 6.401 -1.562 4.958 0.00 0.00 +0.099 C ATOM 38 N LIG 1 6.961 -1.759 5.956 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9