REMARK Name = BDB010795 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.171 -0.866 0.190 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.830 -0.925 0.578 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.448 -1.785 1.594 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.893 -1.741 1.813 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 1.368 -0.832 0.986 0.00 0.00 +0.116 A ATOM 6 N LIG 1 -1.286 -2.577 2.279 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.554 -2.426 1.878 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.343 -0.283 0.229 0.00 0.00 -0.323 N ATOM 9 N LIG 1 -3.022 -1.633 0.896 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -3.545 -3.249 2.606 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -3.125 -4.061 3.591 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -2.180 -4.187 3.914 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.209 -4.681 4.073 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -4.225 -5.498 4.980 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.307 -4.244 3.374 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.824 -3.297 2.413 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 C LIG 1 2.835 -0.465 0.878 0.00 0.00 +0.067 C ATOM 18 C LIG 1 3.566 -1.477 -0.038 0.00 0.00 +0.055 C ATOM 19 C LIG 1 4.050 -2.717 0.736 0.00 0.00 +0.168 C ATOM 20 O LIG 1 4.728 -2.386 1.949 0.00 0.00 -0.379 OA ATOM 21 C LIG 1 3.879 -1.690 2.856 0.00 0.00 +0.160 C ATOM 22 C LIG 1 3.476 -0.346 2.272 0.00 0.00 +0.040 C BRANCH 18 23 ATOM 23 C LIG 1 4.664 -0.777 -0.840 0.00 0.00 -0.041 A ATOM 24 C LIG 1 5.941 -0.532 -0.317 0.00 0.00 +0.004 A ATOM 25 C LIG 1 6.906 0.137 -1.073 0.00 0.00 +0.000 A ATOM 26 C LIG 1 6.609 0.574 -2.361 0.00 0.00 +0.000 A ATOM 27 C LIG 1 5.345 0.342 -2.896 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.379 -0.327 -2.141 0.00 0.00 +0.004 A ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 29 ATOM 29 N LIG 1 -2.627 -0.067 -0.845 0.00 0.00 -0.324 N ATOM 30 H LIG 1 -1.981 -0.053 -1.623 0.00 0.00 +0.148 HD BRANCH 29 32 ATOM 31 C LIG 1 -4.997 0.395 -0.233 0.00 0.00 +0.028 C ATOM 32 C LIG 1 -4.025 -0.094 -1.303 0.00 0.00 +0.072 C BRANCH 32 33 ATOM 33 C LIG 1 -4.415 -1.416 -1.974 0.00 0.00 +0.009 C ATOM 34 C LIG 1 -5.733 -1.425 -2.805 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -5.856 -2.922 -2.457 0.00 0.00 +0.001 C ATOM 36 C LIG 1 -5.021 -2.622 -1.195 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 1 29 BRANCH 8 37 ATOM 37 C LIG 1 0.472 0.785 -0.749 0.00 0.00 +0.127 C BRANCH 37 38 ATOM 38 C LIG 1 -0.074 2.148 -0.276 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -0.104 3.158 -1.443 0.00 0.00 +0.005 C ATOM 40 C LIG 1 1.105 4.088 -1.438 0.00 0.00 +0.003 C ATOM 41 C LIG 1 1.192 4.920 -0.145 0.00 0.00 -0.014 C ATOM 42 C LIG 1 0.561 6.302 -0.323 0.00 0.00 +0.007 C ATOM 43 C LIG 1 0.561 4.201 1.061 0.00 0.00 +0.003 C ATOM 44 C LIG 1 0.706 2.689 0.938 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 8