REMARK Name = BDB024952 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.773 -2.066 0.777 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.027 -1.516 -0.281 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.250 -1.992 -1.670 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -5.620 -1.537 -2.204 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.192 -1.539 -2.690 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -1.812 -1.567 -2.077 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -1.821 -0.625 -0.909 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -0.733 0.231 -0.639 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.430 0.393 -1.346 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 1.139 1.288 -0.692 0.00 0.00 +0.112 A ATOM 11 N LIG 1 0.451 1.744 0.420 0.00 0.00 -0.322 N ATOM 12 C LIG 1 -0.752 1.067 0.470 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -1.836 1.094 1.350 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.910 0.235 1.080 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -2.924 -0.627 -0.025 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.662 -1.792 1.967 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 0.908 2.769 1.357 0.00 0.00 +0.115 C ATOM 18 C LIG 1 0.982 2.289 2.819 0.00 0.00 +0.184 C ATOM 19 O LIG 1 -0.065 2.855 3.608 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 0.027 4.275 3.730 0.00 0.00 +0.160 C ATOM 21 C LIG 1 0.380 4.972 2.417 0.00 0.00 +0.030 C ATOM 22 C LIG 1 0.112 4.076 1.216 0.00 0.00 +0.029 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 -6.419 -3.634 1.388 0.00 0.00 +0.282 C ATOM 24 O LIG 1 -5.655 -3.021 0.348 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 2.494 1.756 -1.132 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 3.643 1.105 -0.343 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 3.932 -0.377 -0.548 0.00 0.00 -0.033 A ATOM 28 C LIG 1 4.749 -1.038 0.388 0.00 0.00 +0.005 A ATOM 29 C LIG 1 5.056 -2.394 0.247 0.00 0.00 +0.003 A ATOM 30 C LIG 1 4.564 -3.122 -0.839 0.00 0.00 -0.050 A ATOM 31 C LIG 1 4.859 -4.586 -0.973 0.00 0.00 +0.044 C ATOM 32 C LIG 1 3.741 -2.476 -1.766 0.00 0.00 +0.003 A ATOM 33 C LIG 1 3.435 -1.118 -1.626 0.00 0.00 +0.005 A ENDBRANCH 26 27 BRANCH 26 34 ATOM 34 C LIG 1 4.877 1.949 -0.588 0.00 0.00 +0.313 C ATOM 35 O LIG 1 5.385 2.705 0.228 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 5.383 1.849 -1.831 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 6.186 2.411 -1.825 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 26 34 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7