REMARK Name = BDB013115 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.025 0.511 0.580 0.00 0.00 +0.046 A ATOM 2 C LIG 1 -1.014 0.606 1.596 0.00 0.00 +0.173 A ATOM 3 N LIG 1 -2.328 0.625 1.194 0.00 0.00 -0.253 N ATOM 4 C LIG 1 -3.061 0.684 2.344 0.00 0.00 +0.232 A ATOM 5 N LIG 1 -2.256 0.730 3.383 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -2.727 0.562 -0.148 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -1.812 0.451 -1.075 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -0.963 0.679 2.911 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 -0.487 0.420 -0.688 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 4.194 0.418 1.286 0.00 0.00 +0.121 A ATOM 11 N LIG 1 3.674 1.267 0.372 0.00 0.00 -0.240 NA ATOM 12 C LIG 1 2.332 1.276 0.171 0.00 0.00 +0.121 A ATOM 13 C LIG 1 1.428 0.457 0.831 0.00 0.00 +0.005 A ATOM 14 C LIG 1 1.966 -0.401 1.784 0.00 0.00 +0.013 A ATOM 15 C LIG 1 3.346 -0.418 2.011 0.00 0.00 +0.044 A BRANCH 10 21 ATOM 16 O LIG 1 9.422 0.449 -0.630 0.00 0.00 -0.279 OA ATOM 17 C LIG 1 8.626 -0.474 -0.733 0.00 0.00 +0.328 C ATOM 18 N LIG 1 7.255 -0.347 -0.821 0.00 0.00 -0.302 N ATOM 19 C LIG 1 6.643 0.982 -0.714 0.00 0.00 +0.126 C ATOM 20 C LIG 1 6.362 1.413 0.735 0.00 0.00 +0.125 C ATOM 21 N LIG 1 5.566 0.425 1.490 0.00 0.00 -0.314 N ATOM 22 C LIG 1 6.282 -0.779 1.906 0.00 0.00 +0.108 C ATOM 23 C LIG 1 6.257 -1.907 0.873 0.00 0.00 +0.038 C ATOM 24 C LIG 1 6.389 -1.492 -0.594 0.00 0.00 +0.109 C ENDBRANCH 10 21 ENDBRANCH 1 13 BRANCH 6 25 ATOM 25 N LIG 1 -4.071 0.611 -0.447 0.00 0.00 -0.310 N ATOM 26 H LIG 1 -4.692 1.075 0.207 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.536 0.668 -1.821 0.00 0.00 +0.140 C BRANCH 27 28 ATOM 28 C LIG 1 -6.042 0.684 -1.833 0.00 0.00 -0.024 A ATOM 29 C LIG 1 -6.792 -0.439 -1.495 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -6.353 -1.786 -1.052 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -7.685 -2.530 -1.160 0.00 0.00 +0.234 C ATOM 32 O LIG 1 -8.767 -1.573 -1.090 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -8.180 -0.392 -1.466 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -8.881 0.756 -1.767 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -8.153 1.893 -2.120 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -6.748 1.859 -2.150 0.00 0.00 +0.005 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 5