REMARK Name = BDB004284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.952 1.099 1.177 0.00 0.00 +0.004 C ATOM 2 C LIG 1 0.447 -0.261 1.723 0.00 0.00 +0.011 C ATOM 3 C LIG 1 -0.933 0.023 1.056 0.00 0.00 -0.026 C ATOM 4 C LIG 1 -1.514 -1.192 0.326 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -2.781 -0.784 -0.426 0.00 0.00 +0.105 C ATOM 6 N LIG 1 -3.755 -0.209 0.515 0.00 0.00 -0.330 N ATOM 7 C LIG 1 -3.256 0.970 1.252 0.00 0.00 +0.105 C ATOM 8 C LIG 1 -1.977 0.612 2.014 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -0.202 1.054 0.142 0.00 0.00 +0.011 C ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.072 -0.035 0.046 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -5.420 -0.024 -1.311 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -6.747 0.149 -1.728 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -7.779 0.315 -0.796 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -7.445 0.290 0.563 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -6.117 0.115 0.971 0.00 0.00 +0.023 A BRANCH 13 16 ATOM 16 C LIG 1 -9.219 0.481 -1.276 0.00 0.00 +0.063 C ATOM 17 C LIG 1 -10.023 -0.847 -1.283 0.00 0.00 +0.068 C ATOM 18 C LIG 1 -11.463 -0.530 -1.709 0.00 0.00 +0.238 C ATOM 19 O LIG 1 -12.131 0.438 -0.897 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 -11.400 1.542 -0.556 0.00 0.00 +0.128 A ATOM 21 C LIG 1 -12.139 2.603 -0.029 0.00 0.00 +0.091 A ATOM 22 C LIG 1 -11.498 3.777 0.343 0.00 0.00 +0.120 A ATOM 23 C LIG 1 -10.125 3.912 0.191 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -9.386 2.846 -0.328 0.00 0.00 +0.011 A ATOM 25 C LIG 1 -10.008 1.633 -0.678 0.00 0.00 +0.003 A BRANCH 17 26 ATOM 26 C LIG 1 -9.932 -1.716 -0.029 0.00 0.00 -0.040 A ATOM 27 C LIG 1 -10.696 -1.488 1.125 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -10.557 -2.305 2.251 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -9.650 -3.360 2.245 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -8.879 -3.601 1.113 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -9.020 -2.788 -0.013 0.00 0.00 +0.004 A ENDBRANCH 17 26 BRANCH 22 32 ATOM 32 O LIG 1 -12.259 4.788 0.850 0.00 0.00 -0.507 OA ATOM 33 H LIG 1 -11.671 5.513 1.118 0.00 0.00 +0.292 HD ENDBRANCH 22 32 ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 1 34 ATOM 34 C LIG 1 2.410 1.274 0.734 0.00 0.00 +0.088 C BRANCH 34 45 ATOM 35 N LIG 1 11.191 -0.836 0.633 0.00 0.00 -0.281 N ATOM 36 C LIG 1 10.566 -2.067 0.742 0.00 0.00 +0.248 C ATOM 37 O LIG 1 11.072 -3.142 1.000 0.00 0.00 -0.270 OA ATOM 38 C LIG 1 9.150 -1.853 0.431 0.00 0.00 +0.045 A ATOM 39 C LIG 1 8.114 -2.761 0.411 0.00 0.00 +0.015 A ATOM 40 C LIG 1 6.846 -2.289 0.049 0.00 0.00 +0.027 A ATOM 41 C LIG 1 6.612 -0.931 -0.282 0.00 0.00 +0.073 A ATOM 42 N LIG 1 5.334 -0.462 -0.651 0.00 0.00 -0.318 N ATOM 43 C LIG 1 5.233 1.013 -0.538 0.00 0.00 +0.125 C ATOM 44 C LIG 1 3.916 1.526 -1.172 0.00 0.00 +0.110 C ATOM 45 N LIG 1 2.682 0.877 -0.658 0.00 0.00 -0.299 NA ATOM 46 C LIG 1 2.850 -0.581 -0.844 0.00 0.00 +0.103 C ATOM 47 C LIG 1 6.436 1.639 -1.246 0.00 0.00 +0.252 C ATOM 48 O LIG 1 7.664 1.285 -0.599 0.00 0.00 -0.488 OA ATOM 49 C LIG 1 4.131 -1.202 -0.230 0.00 0.00 +0.121 C ATOM 50 C LIG 1 7.728 -0.050 -0.278 0.00 0.00 +0.147 A ATOM 51 C LIG 1 8.977 -0.518 0.092 0.00 0.00 +0.025 A ATOM 52 C LIG 1 10.276 0.209 0.181 0.00 0.00 +0.148 C BRANCH 35 59 ATOM 53 O LIG 1 16.278 0.931 -0.485 0.00 0.00 -0.275 OA ATOM 54 C LIG 1 15.227 0.411 -0.123 0.00 0.00 +0.219 C ATOM 55 N LIG 1 14.437 1.002 0.829 0.00 0.00 -0.255 N ATOM 56 H LIG 1 14.757 1.902 1.162 0.00 0.00 +0.158 HD ATOM 57 C LIG 1 13.144 0.670 1.169 0.00 0.00 +0.240 C ATOM 58 O LIG 1 12.483 1.433 1.870 0.00 0.00 -0.273 OA ATOM 59 C LIG 1 12.644 -0.690 0.656 0.00 0.00 +0.163 C ATOM 60 C LIG 1 13.234 -0.968 -0.728 0.00 0.00 +0.041 C ATOM 61 C LIG 1 14.752 -0.915 -0.664 0.00 0.00 +0.098 C ENDBRANCH 35 59 ENDBRANCH 34 45 ENDBRANCH 1 34 TORSDOF 7