REMARK Name = BDB063628 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.466 0.777 0.450 0.00 0.00 +0.018 A ATOM 2 C LIG 1 -0.348 0.505 1.242 0.00 0.00 +0.121 A ATOM 3 N LIG 1 0.858 1.123 1.144 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 0.972 2.094 0.202 0.00 0.00 +0.126 A ATOM 5 C LIG 1 -0.082 2.473 -0.619 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -1.300 1.803 -0.493 0.00 0.00 +0.014 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -6.534 -1.783 0.942 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -5.267 -1.147 0.827 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -4.107 -1.856 1.200 0.00 0.00 -0.014 A ATOM 10 C LIG 1 -2.850 -1.242 1.082 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -2.747 0.062 0.598 0.00 0.00 +0.073 A ATOM 12 N LIG 1 -3.845 0.754 0.218 0.00 0.00 -0.254 NA ATOM 13 C LIG 1 -4.222 -3.170 1.684 0.00 0.00 +0.008 A ATOM 14 C LIG 1 -5.467 -3.784 1.804 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.055 0.154 0.348 0.00 0.00 +0.120 A ATOM 16 C LIG 1 -6.619 -3.094 1.437 0.00 0.00 +0.011 A BRANCH 7 22 ATOM 17 C LIG 1 -8.448 -4.016 -3.943 0.00 0.00 +0.109 C ATOM 18 C LIG 1 -9.730 -3.311 -3.575 0.00 0.00 +0.213 C ATOM 19 N LIG 1 -9.727 -2.555 -2.408 0.00 0.00 -0.297 N ATOM 20 C LIG 1 -8.659 -2.682 -1.396 0.00 0.00 +0.146 C ATOM 21 C LIG 1 -8.684 -1.521 -0.468 0.00 0.00 +0.018 A ATOM 22 C LIG 1 -7.770 -1.118 0.539 0.00 0.00 +0.098 A ATOM 23 N LIG 1 -8.175 0.019 1.125 0.00 0.00 -0.170 NA ATOM 24 N LIG 1 -9.328 0.345 0.503 0.00 0.00 -0.264 N ATOM 25 C LIG 1 -9.677 -0.566 -0.448 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -10.851 -0.558 -1.355 0.00 0.00 +0.074 C ATOM 27 C LIG 1 -11.010 -1.964 -1.970 0.00 0.00 +0.114 C ATOM 28 O LIG 1 -10.718 -3.409 -4.304 0.00 0.00 -0.276 OA BRANCH 24 29 ATOM 29 C LIG 1 -10.018 1.578 0.862 0.00 0.00 +0.112 C ATOM 30 C LIG 1 -10.416 1.613 2.341 0.00 0.00 +0.055 C ATOM 31 C LIG 1 -11.087 2.938 2.664 0.00 0.00 +0.162 C ATOM 32 O LIG 1 -10.242 4.032 2.316 0.00 0.00 -0.380 OA ATOM 33 C LIG 1 -9.938 4.075 0.923 0.00 0.00 +0.162 C ATOM 34 C LIG 1 -9.197 2.818 0.492 0.00 0.00 +0.055 C ENDBRANCH 24 29 ENDBRANCH 7 22 ENDBRANCH 1 11 BRANCH 4 35 ATOM 35 C LIG 1 2.265 2.848 0.111 0.00 0.00 +0.265 C ATOM 36 N LIG 1 3.499 2.211 0.353 0.00 0.00 -0.296 N ATOM 37 C LIG 1 3.627 0.790 0.686 0.00 0.00 +0.110 C ATOM 38 C LIG 1 4.977 0.207 0.276 0.00 0.00 +0.041 C ATOM 39 C LIG 1 6.115 1.084 0.783 0.00 0.00 +0.073 C ATOM 40 C LIG 1 5.968 2.525 0.306 0.00 0.00 +0.041 C ATOM 41 C LIG 1 4.614 3.079 0.728 0.00 0.00 +0.110 C ATOM 42 O LIG 1 2.202 4.043 -0.188 0.00 0.00 -0.268 OA BRANCH 39 43 ATOM 43 N LIG 1 7.433 0.511 0.510 0.00 0.00 -0.340 N ATOM 44 H LIG 1 8.026 0.448 1.345 0.00 0.00 +0.146 HD BRANCH 43 45 ATOM 45 C LIG 1 8.147 0.453 -0.668 0.00 0.00 +0.040 A ATOM 46 C LIG 1 9.505 0.140 -0.654 0.00 0.00 +0.070 A ATOM 47 C LIG 1 10.402 -0.105 0.479 0.00 0.00 +0.256 C ATOM 48 N LIG 1 11.652 -0.321 -0.035 0.00 0.00 -0.222 N ATOM 49 C LIG 1 11.639 -0.293 -1.401 0.00 0.00 +0.255 C ATOM 50 O LIG 1 12.550 -0.501 -2.180 0.00 0.00 -0.270 OA ATOM 51 O LIG 1 10.059 -0.086 1.648 0.00 0.00 -0.269 OA ATOM 52 C LIG 1 10.273 0.029 -1.803 0.00 0.00 +0.051 A ATOM 53 C LIG 1 9.742 0.208 -3.061 0.00 0.00 +0.014 A ATOM 54 C LIG 1 8.384 0.510 -3.126 0.00 0.00 +0.003 A ATOM 55 C LIG 1 7.604 0.624 -1.949 0.00 0.00 +0.024 A BRANCH 48 56 ATOM 56 C LIG 1 12.789 -0.713 0.782 0.00 0.00 +0.171 C ATOM 57 C LIG 1 12.999 -2.226 0.670 0.00 0.00 +0.240 C ATOM 58 O LIG 1 12.114 -3.021 0.359 0.00 0.00 -0.273 OA ATOM 59 N LIG 1 14.253 -2.680 1.016 0.00 0.00 -0.255 N ATOM 60 H LIG 1 14.390 -3.681 0.965 0.00 0.00 +0.158 HD ATOM 61 C LIG 1 15.363 -1.937 1.332 0.00 0.00 +0.219 C ATOM 62 O LIG 1 16.429 -2.480 1.609 0.00 0.00 -0.275 OA ATOM 63 C LIG 1 15.183 -0.438 1.391 0.00 0.00 +0.098 C ATOM 64 C LIG 1 14.082 0.026 0.449 0.00 0.00 +0.041 C ENDBRANCH 48 56 ENDBRANCH 43 45 ENDBRANCH 39 43 ENDBRANCH 4 35 TORSDOF 7