REMARK Name = BDB063635 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.357 -0.960 -1.524 0.00 0.00 +0.018 A ATOM 2 C LIG 1 -0.479 -2.045 -1.545 0.00 0.00 +0.121 A ATOM 3 N LIG 1 0.604 -2.166 -2.355 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 0.829 -1.150 -3.226 0.00 0.00 +0.125 A ATOM 5 C LIG 1 0.014 -0.031 -3.312 0.00 0.00 +0.033 A ATOM 6 C LIG 1 -1.079 0.059 -2.449 0.00 0.00 +0.014 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -5.979 -0.541 1.785 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -4.816 -0.637 0.972 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -3.732 -1.420 1.415 0.00 0.00 -0.014 A ATOM 10 C LIG 1 -2.583 -1.533 0.613 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -2.520 -0.882 -0.618 0.00 0.00 +0.073 A ATOM 12 N LIG 1 -3.545 -0.117 -1.058 0.00 0.00 -0.254 NA ATOM 13 C LIG 1 -3.813 -2.081 2.652 0.00 0.00 +0.008 A ATOM 14 C LIG 1 -4.954 -1.978 3.446 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -4.647 -0.014 -0.272 0.00 0.00 +0.120 A ATOM 16 C LIG 1 -6.033 -1.212 3.015 0.00 0.00 +0.011 A BRANCH 7 22 ATOM 17 C LIG 1 -12.270 -2.923 -0.348 0.00 0.00 +0.109 C ATOM 18 C LIG 1 -10.871 -2.865 0.211 0.00 0.00 +0.213 C ATOM 19 N LIG 1 -10.380 -1.618 0.573 0.00 0.00 -0.297 N ATOM 20 C LIG 1 -9.029 -1.604 1.168 0.00 0.00 +0.146 C ATOM 21 C LIG 1 -8.458 -0.232 1.114 0.00 0.00 +0.018 A ATOM 22 C LIG 1 -7.144 0.237 1.371 0.00 0.00 +0.098 A ATOM 23 N LIG 1 -7.063 1.563 1.176 0.00 0.00 -0.170 NA ATOM 24 N LIG 1 -8.301 1.938 0.793 0.00 0.00 -0.264 N ATOM 25 C LIG 1 -9.172 0.892 0.758 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -10.600 0.888 0.359 0.00 0.00 +0.074 C ATOM 27 C LIG 1 -11.241 -0.440 0.820 0.00 0.00 +0.114 C ATOM 28 O LIG 1 -10.208 -3.896 0.323 0.00 0.00 -0.276 OA BRANCH 24 29 ATOM 29 C LIG 1 -8.550 3.328 0.435 0.00 0.00 +0.112 C ATOM 30 C LIG 1 -7.906 3.685 -0.913 0.00 0.00 +0.055 C ATOM 31 C LIG 1 -7.602 5.174 -1.006 0.00 0.00 +0.162 C ATOM 32 O LIG 1 -8.582 5.908 -0.280 0.00 0.00 -0.380 OA ATOM 33 C LIG 1 -8.458 5.735 1.133 0.00 0.00 +0.162 C ATOM 34 C LIG 1 -8.108 4.303 1.528 0.00 0.00 +0.055 C ENDBRANCH 24 29 ENDBRANCH 7 22 ENDBRANCH 1 11 BRANCH 4 35 ATOM 35 C LIG 1 1.980 -1.284 -4.173 0.00 0.00 +0.263 C ATOM 36 N LIG 1 2.968 -2.216 -3.906 0.00 0.00 -0.307 N ATOM 37 H LIG 1 3.352 -2.486 -4.803 0.00 0.00 +0.149 HD ATOM 38 O LIG 1 2.026 -0.632 -5.215 0.00 0.00 -0.269 OA BRANCH 36 39 ATOM 39 C LIG 1 4.086 -1.901 -3.004 0.00 0.00 +0.076 C ATOM 40 C LIG 1 4.845 -0.646 -3.434 0.00 0.00 +0.041 C ATOM 41 C LIG 1 6.178 -0.567 -2.690 0.00 0.00 +0.107 C ATOM 42 N LIG 1 6.060 -1.012 -1.286 0.00 0.00 -0.330 N ATOM 43 C LIG 1 4.715 -0.971 -0.706 0.00 0.00 +0.107 C ATOM 44 C LIG 1 3.735 -1.827 -1.516 0.00 0.00 +0.041 C BRANCH 42 45 ATOM 45 C LIG 1 7.163 -0.676 -0.482 0.00 0.00 +0.030 A ATOM 46 C LIG 1 8.465 -0.993 -0.917 0.00 0.00 +0.037 A ATOM 47 C LIG 1 9.539 -0.663 -0.112 0.00 0.00 +0.051 A ATOM 48 C LIG 1 10.970 -0.869 -0.313 0.00 0.00 +0.255 C ATOM 49 N LIG 1 11.600 -0.370 0.797 0.00 0.00 -0.222 N ATOM 50 C LIG 1 10.703 0.158 1.682 0.00 0.00 +0.254 C ATOM 51 O LIG 1 10.913 0.717 2.741 0.00 0.00 -0.270 OA ATOM 52 O LIG 1 11.454 -1.404 -1.292 0.00 0.00 -0.270 OA ATOM 53 C LIG 1 9.376 -0.041 1.107 0.00 0.00 +0.050 A ATOM 54 C LIG 1 8.129 0.287 1.586 0.00 0.00 +0.015 A ATOM 55 C LIG 1 7.026 -0.039 0.781 0.00 0.00 +0.024 A BRANCH 49 56 ATOM 56 C LIG 1 13.048 -0.330 0.940 0.00 0.00 +0.171 C ATOM 57 C LIG 1 13.513 1.126 0.877 0.00 0.00 +0.240 C ATOM 58 O LIG 1 13.098 1.925 0.039 0.00 0.00 -0.273 OA ATOM 59 N LIG 1 14.432 1.517 1.816 0.00 0.00 -0.255 N ATOM 60 H LIG 1 14.750 2.474 1.731 0.00 0.00 +0.158 HD ATOM 61 C LIG 1 14.531 1.020 3.088 0.00 0.00 +0.219 C ATOM 62 O LIG 1 15.127 1.647 3.961 0.00 0.00 -0.275 OA ATOM 63 C LIG 1 13.812 -0.273 3.378 0.00 0.00 +0.098 C ATOM 64 C LIG 1 13.602 -1.112 2.130 0.00 0.00 +0.041 C ENDBRANCH 49 56 ENDBRANCH 42 45 ENDBRANCH 36 39 ENDBRANCH 4 35 TORSDOF 7