REMARK Name = BDB035217 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -9.659 -0.213 2.370 0.00 0.00 +0.086 C ATOM 2 C LIG 1 -8.183 -0.083 2.087 0.00 0.00 +0.111 A ATOM 3 N LIG 1 -7.713 -0.071 0.792 0.00 0.00 -0.284 N ATOM 4 C LIG 1 -6.340 0.087 0.541 0.00 0.00 +0.263 A ATOM 5 O LIG 1 -5.881 0.082 -0.599 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 -5.432 0.228 1.710 0.00 0.00 +0.068 A ATOM 7 C LIG 1 -6.044 0.149 2.963 0.00 0.00 +0.078 A ATOM 8 C LIG 1 -5.270 0.239 4.124 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -3.892 0.404 4.049 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -3.277 0.488 2.804 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -4.030 0.411 1.615 0.00 0.00 -0.033 A ATOM 12 N LIG 1 -7.420 -0.005 3.127 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -8.573 -0.210 -0.405 0.00 0.00 +0.178 C ATOM 14 C LIG 1 -9.426 1.034 -0.667 0.00 0.00 +0.242 C ATOM 15 O LIG 1 -9.204 2.141 -0.185 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 -10.460 0.838 -1.544 0.00 0.00 -0.255 N ATOM 17 H LIG 1 -10.941 1.679 -1.839 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 -11.292 -0.244 -1.477 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -12.411 -0.208 -1.981 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -10.836 -1.408 -0.630 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -9.325 -1.542 -0.521 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 C LIG 1 -3.266 0.511 0.311 0.00 0.00 +0.036 C BRANCH 22 23 ATOM 23 C LIG 1 -2.900 -0.869 -0.244 0.00 0.00 +0.005 C BRANCH 23 24 ATOM 24 C LIG 1 -2.269 -0.813 -1.639 0.00 0.00 +0.000 C BRANCH 24 25 ATOM 25 C LIG 1 -0.984 0.014 -1.762 0.00 0.00 +0.000 C BRANCH 25 26 ATOM 26 C LIG 1 0.153 -0.494 -0.872 0.00 0.00 +0.000 C BRANCH 26 27 ATOM 27 C LIG 1 1.439 0.331 -0.996 0.00 0.00 +0.001 C BRANCH 27 28 ATOM 28 C LIG 1 2.116 0.200 -2.365 0.00 0.00 +0.015 C BRANCH 28 29 ATOM 29 C LIG 1 3.441 0.977 -2.454 0.00 0.00 +0.084 C BRANCH 29 30 ATOM 30 N LIG 1 4.462 0.545 -1.489 0.00 0.00 -0.302 NA ATOM 31 C LIG 1 4.872 -0.855 -1.696 0.00 0.00 +0.086 C ATOM 32 C LIG 1 6.267 -1.188 -1.144 0.00 0.00 +0.034 C ATOM 33 C LIG 1 6.581 -0.332 0.089 0.00 0.00 +0.059 C ATOM 34 C LIG 1 6.524 1.165 -0.284 0.00 0.00 +0.034 C ATOM 35 C LIG 1 5.614 1.446 -1.488 0.00 0.00 +0.086 C BRANCH 33 36 ATOM 36 N LIG 1 7.809 -0.758 0.785 0.00 0.00 -0.297 NA ATOM 37 C LIG 1 8.037 -0.083 2.076 0.00 0.00 +0.100 C ATOM 38 C LIG 1 9.245 0.880 2.083 0.00 0.00 +0.099 C ATOM 39 N LIG 1 10.521 0.223 1.736 0.00 0.00 -0.303 NA ATOM 40 C LIG 1 11.481 1.195 1.223 0.00 0.00 +0.105 C ATOM 41 C LIG 1 10.318 -0.902 0.803 0.00 0.00 +0.099 C ATOM 42 C LIG 1 9.026 -0.810 -0.042 0.00 0.00 +0.100 C ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 11 22 TORSDOF 11