REMARK Name = BDB059764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.943 1.425 0.181 0.00 0.00 +0.113 A ATOM 2 N LIG 1 -1.061 0.229 -0.497 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -1.874 -0.773 0.001 0.00 0.00 +0.258 A ATOM 4 O LIG 1 -1.989 -1.880 -0.522 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 -2.625 -0.470 1.244 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -2.436 0.741 1.794 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -3.150 1.215 3.035 0.00 0.00 +0.066 C ATOM 8 N LIG 1 -1.591 1.681 1.271 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 -0.010 2.498 -0.379 0.00 0.00 +0.074 C BRANCH 9 10 ATOM 10 C LIG 1 0.095 3.753 0.489 0.00 0.00 +0.007 C BRANCH 10 12 ATOM 11 C LIG 1 1.188 6.008 0.750 0.00 0.00 +0.004 C ATOM 12 C LIG 1 1.062 4.768 -0.120 0.00 0.00 -0.003 C ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 2 13 ATOM 13 C LIG 1 -0.368 -0.049 -1.758 0.00 0.00 +0.161 C BRANCH 13 14 ATOM 14 C LIG 1 1.099 -0.401 -1.598 0.00 0.00 -0.028 A ATOM 15 C LIG 1 2.033 0.081 -2.527 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.391 -0.225 -2.398 0.00 0.00 +0.009 A ATOM 17 C LIG 1 3.849 -1.020 -1.338 0.00 0.00 -0.017 A ATOM 18 C LIG 1 2.907 -1.540 -0.439 0.00 0.00 +0.009 A ATOM 19 C LIG 1 1.548 -1.241 -0.571 0.00 0.00 +0.006 A BRANCH 17 20 ATOM 20 C LIG 1 5.282 -1.288 -1.162 0.00 0.00 -0.007 A ATOM 21 C LIG 1 6.059 -0.747 -0.112 0.00 0.00 +0.028 A ATOM 22 C LIG 1 7.409 -1.117 0.023 0.00 0.00 +0.012 A ATOM 23 C LIG 1 8.004 -1.993 -0.884 0.00 0.00 +0.001 A ATOM 24 C LIG 1 7.255 -2.515 -1.933 0.00 0.00 +0.001 A ATOM 25 C LIG 1 5.910 -2.168 -2.067 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 C LIG 1 5.549 0.213 0.892 0.00 0.00 +0.183 A ATOM 27 N LIG 1 4.582 1.095 0.607 0.00 0.00 -0.271 N ATOM 28 H LIG 1 4.068 1.236 -0.243 0.00 0.00 +0.174 HD ATOM 29 C LIG 1 4.370 1.817 1.716 0.00 0.00 +0.440 A ATOM 30 O LIG 1 3.553 2.715 1.837 0.00 0.00 -0.221 OA ATOM 31 O LIG 1 5.230 1.378 2.690 0.00 0.00 -0.295 OA ATOM 32 N LIG 1 5.997 0.323 2.100 0.00 0.00 -0.054 NA ENDBRANCH 21 26 ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 2 13 BRANCH 5 33 ATOM 33 C LIG 1 -3.501 -1.577 1.768 0.00 0.00 +0.141 C BRANCH 33 34 ATOM 34 C LIG 1 -4.808 -1.750 1.080 0.00 0.00 +0.232 A ATOM 35 O LIG 1 -5.541 -0.621 0.848 0.00 0.00 -0.338 OA ATOM 36 N LIG 1 -6.720 -1.032 0.225 0.00 0.00 -0.059 NA ATOM 37 C LIG 1 -6.588 -2.366 0.168 0.00 0.00 +0.197 A ATOM 38 N LIG 1 -5.407 -2.850 0.683 0.00 0.00 -0.193 NA BRANCH 37 39 ATOM 39 C LIG 1 -7.624 -3.252 -0.432 0.00 0.00 +0.239 C BRANCH 39 40 ATOM 40 O LIG 1 -8.570 -3.711 0.544 0.00 0.00 -0.375 OA ATOM 41 C LIG 1 -9.544 -4.566 -0.038 0.00 0.00 +0.194 C ENDBRANCH 39 40 ENDBRANCH 37 39 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 11