REMARK Name = BDB063615 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.785 2.369 -2.020 0.00 0.00 +0.018 A ATOM 2 C LIG 1 0.202 1.608 -1.385 0.00 0.00 +0.121 A ATOM 3 N LIG 1 1.534 1.876 -1.398 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 1.913 2.992 -2.077 0.00 0.00 +0.125 A ATOM 5 C LIG 1 1.025 3.831 -2.733 0.00 0.00 +0.033 A ATOM 6 C LIG 1 -0.334 3.512 -2.700 0.00 0.00 +0.014 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -6.223 0.739 -1.567 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -4.864 1.141 -1.689 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -4.459 1.848 -2.839 0.00 0.00 -0.014 A ATOM 10 C LIG 1 -3.123 2.260 -2.965 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -2.203 1.974 -1.957 0.00 0.00 +0.073 A ATOM 12 N LIG 1 -2.566 1.290 -0.848 0.00 0.00 -0.254 NA ATOM 13 C LIG 1 -5.396 2.132 -3.845 0.00 0.00 +0.008 A ATOM 14 C LIG 1 -6.725 1.728 -3.723 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -3.861 0.898 -0.739 0.00 0.00 +0.120 A ATOM 16 C LIG 1 -7.137 1.036 -2.589 0.00 0.00 +0.011 A BRANCH 7 22 ATOM 17 C LIG 1 -10.493 3.162 3.506 0.00 0.00 +0.109 C ATOM 18 C LIG 1 -9.690 3.054 2.236 0.00 0.00 +0.213 C ATOM 19 N LIG 1 -9.210 1.798 1.888 0.00 0.00 -0.297 N ATOM 20 C LIG 1 -8.474 1.722 0.611 0.00 0.00 +0.146 C ATOM 21 C LIG 1 -7.691 0.459 0.541 0.00 0.00 +0.018 A ATOM 22 C LIG 1 -6.713 0.028 -0.389 0.00 0.00 +0.098 A ATOM 23 N LIG 1 -6.246 -1.187 -0.063 0.00 0.00 -0.170 NA ATOM 24 N LIG 1 -6.910 -1.534 1.058 0.00 0.00 -0.264 N ATOM 25 C LIG 1 -7.797 -0.574 1.448 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -8.693 -0.560 2.630 0.00 0.00 +0.074 C ATOM 27 C LIG 1 -9.764 0.536 2.429 0.00 0.00 +0.114 C ATOM 28 O LIG 1 -9.469 4.057 1.556 0.00 0.00 -0.276 OA BRANCH 24 29 ATOM 29 C LIG 1 -6.628 -2.812 1.709 0.00 0.00 +0.112 C ATOM 30 C LIG 1 -5.196 -2.888 2.252 0.00 0.00 +0.055 C ATOM 31 C LIG 1 -4.195 -3.329 1.194 0.00 0.00 +0.162 C ATOM 32 O LIG 1 -4.625 -4.546 0.589 0.00 0.00 -0.380 OA ATOM 33 C LIG 1 -5.840 -4.369 -0.137 0.00 0.00 +0.162 C ATOM 34 C LIG 1 -6.973 -4.009 0.814 0.00 0.00 +0.055 C ENDBRANCH 24 29 ENDBRANCH 7 22 ENDBRANCH 1 11 BRANCH 4 35 ATOM 35 C LIG 1 3.382 3.284 -2.104 0.00 0.00 +0.262 C ATOM 36 N LIG 1 4.152 2.378 -1.405 0.00 0.00 -0.310 N ATOM 37 H LIG 1 3.648 1.613 -0.960 0.00 0.00 +0.149 HD ATOM 38 O LIG 1 3.836 4.245 -2.716 0.00 0.00 -0.269 OA BRANCH 36 39 ATOM 39 C LIG 1 5.595 2.441 -1.354 0.00 0.00 +0.106 C BRANCH 39 40 ATOM 40 C LIG 1 6.255 1.908 -2.625 0.00 0.00 +0.037 C BRANCH 40 41 ATOM 41 C LIG 1 6.066 0.404 -2.825 0.00 0.00 +0.103 C BRANCH 41 42 ATOM 42 N LIG 1 6.826 -0.385 -1.861 0.00 0.00 -0.343 N ATOM 43 H LIG 1 6.421 -0.418 -0.921 0.00 0.00 +0.146 HD BRANCH 42 44 ATOM 44 C LIG 1 8.210 -0.486 -1.879 0.00 0.00 +0.040 A ATOM 45 C LIG 1 8.919 -0.862 -0.742 0.00 0.00 +0.070 A ATOM 46 C LIG 1 8.451 -1.125 0.622 0.00 0.00 +0.256 C ATOM 47 N LIG 1 9.555 -1.417 1.375 0.00 0.00 -0.222 N ATOM 48 C LIG 1 10.692 -1.417 0.614 0.00 0.00 +0.255 C ATOM 49 O LIG 1 11.834 -1.665 0.950 0.00 0.00 -0.270 OA ATOM 50 O LIG 1 7.285 -1.070 0.970 0.00 0.00 -0.269 OA ATOM 51 C LIG 1 10.294 -1.036 -0.738 0.00 0.00 +0.051 A ATOM 52 C LIG 1 11.063 -0.859 -1.868 0.00 0.00 +0.014 A ATOM 53 C LIG 1 10.392 -0.494 -3.033 0.00 0.00 +0.003 A ATOM 54 C LIG 1 8.988 -0.319 -3.037 0.00 0.00 +0.024 A BRANCH 47 55 ATOM 55 C LIG 1 9.537 -1.879 2.755 0.00 0.00 +0.171 C ATOM 56 C LIG 1 9.091 -3.344 2.793 0.00 0.00 +0.240 C ATOM 57 O LIG 1 9.172 -4.112 1.837 0.00 0.00 -0.273 OA ATOM 58 N LIG 1 8.644 -3.796 4.015 0.00 0.00 -0.255 N ATOM 59 H LIG 1 8.381 -4.772 4.056 0.00 0.00 +0.158 HD ATOM 60 C LIG 1 8.425 -3.067 5.157 0.00 0.00 +0.219 C ATOM 61 O LIG 1 8.016 -3.605 6.183 0.00 0.00 -0.275 OA ATOM 62 C LIG 1 8.780 -1.598 5.104 0.00 0.00 +0.098 C ATOM 63 C LIG 1 8.666 -1.045 3.691 0.00 0.00 +0.041 C ENDBRANCH 47 55 ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 36 39 ENDBRANCH 4 35 TORSDOF 10