REMARK Name = BDB010768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.170 -1.098 -0.130 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.885 -1.347 -0.622 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.735 -2.109 -1.772 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.572 -2.255 -2.113 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 -1.262 -1.617 -1.191 0.00 0.00 +0.123 A ATOM 6 N LIG 1 1.745 -2.647 -2.470 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.929 -2.388 -1.923 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.417 -1.051 -0.250 0.00 0.00 -0.323 N ATOM 9 N LIG 1 3.190 -1.661 -0.812 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 4.125 -2.941 -2.597 0.00 0.00 +0.220 A ATOM 11 N LIG 1 5.336 -2.709 -2.063 0.00 0.00 -0.269 N ATOM 12 H LIG 1 5.537 -2.189 -1.226 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 6.233 -3.310 -2.854 0.00 0.00 +0.440 A ATOM 14 O LIG 1 7.442 -3.318 -2.687 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.563 -3.918 -3.887 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.171 -3.650 -3.679 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 -2.868 -1.589 -1.253 0.00 0.00 +0.054 C ATOM 18 C LIG 1 -3.421 -2.285 -2.567 0.00 0.00 +0.019 C ATOM 19 C LIG 1 -4.410 -1.116 -2.699 0.00 0.00 +0.003 C ATOM 20 C LIG 1 -3.407 -0.264 -1.902 0.00 0.00 +0.019 C BRANCH 17 21 ATOM 21 C LIG 1 -3.514 -2.155 0.111 0.00 0.00 -0.034 A ATOM 22 C LIG 1 -4.390 -1.409 0.927 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -4.926 -1.925 2.111 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.605 -3.216 2.517 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.754 -3.989 1.737 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.223 -3.464 0.555 0.00 0.00 +0.004 A ENDBRANCH 17 21 ENDBRANCH 5 17 BRANCH 1 27 ATOM 27 N LIG 1 2.443 -0.328 0.988 0.00 0.00 -0.324 N ATOM 28 H LIG 1 1.781 0.411 1.171 0.00 0.00 +0.148 HD BRANCH 27 30 ATOM 29 C LIG 1 3.926 0.058 2.857 0.00 0.00 +0.028 C ATOM 30 C LIG 1 3.826 0.003 1.329 0.00 0.00 +0.072 C BRANCH 30 31 ATOM 31 C LIG 1 4.305 1.338 0.749 0.00 0.00 +0.009 C ATOM 32 C LIG 1 4.066 1.681 -0.751 0.00 0.00 +0.005 C ATOM 33 C LIG 1 3.967 3.159 -0.320 0.00 0.00 +0.001 C ATOM 34 C LIG 1 3.537 2.652 1.072 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 1 27 BRANCH 8 35 ATOM 35 C LIG 1 -0.823 -0.380 0.970 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 C LIG 1 -1.392 1.039 0.791 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -0.518 1.955 -0.085 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -0.571 3.431 0.317 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.940 3.879 0.836 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -2.980 3.913 -0.288 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -2.412 3.011 2.017 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -1.667 1.679 2.155 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 8