REMARK Name = BDB034640 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.200 0.033 0.258 0.00 0.00 +0.267 C ATOM 2 N LIG 1 0.854 0.301 1.163 0.00 0.00 -0.292 N ATOM 3 O LIG 1 -0.314 0.650 -0.807 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 1.984 1.109 0.644 0.00 0.00 +0.091 C ATOM 5 C LIG 1 3.122 0.197 0.141 0.00 0.00 +0.038 C ATOM 6 C LIG 1 4.503 0.857 0.264 0.00 0.00 +0.092 C ATOM 7 C LIG 1 4.417 2.376 0.067 0.00 0.00 +0.094 C ATOM 8 N LIG 1 3.541 3.061 1.026 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 4.088 3.491 1.771 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 2.508 2.195 1.613 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 5.482 0.239 -0.670 0.00 0.00 +0.222 A ATOM 12 O LIG 1 5.322 0.464 -2.011 0.00 0.00 -0.424 OA ATOM 13 C LIG 1 6.372 -0.242 -2.538 0.00 0.00 +0.220 A ATOM 14 N LIG 1 7.096 -0.836 -1.611 0.00 0.00 -0.112 NA ATOM 15 N LIG 1 6.520 -0.522 -0.398 0.00 0.00 -0.112 NA BRANCH 13 16 ATOM 16 C LIG 1 6.664 -0.323 -4.061 0.00 0.00 +0.077 C ATOM 17 C LIG 1 8.078 -0.522 -4.545 0.00 0.00 +0.013 C ATOM 18 C LIG 1 7.410 0.812 -4.715 0.00 0.00 +0.013 C ENDBRANCH 13 16 ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 20 ATOM 19 C LIG 1 -2.590 -0.748 0.193 0.00 0.00 +0.059 A ATOM 20 C LIG 1 -1.253 -0.999 0.553 0.00 0.00 +0.146 A ATOM 21 N LIG 1 -0.824 -2.168 1.099 0.00 0.00 -0.248 NA ATOM 22 C LIG 1 -1.767 -3.107 1.341 0.00 0.00 +0.115 A ATOM 23 C LIG 1 -3.133 -2.976 1.085 0.00 0.00 -0.024 A ATOM 24 C LIG 1 -3.517 -1.753 0.508 0.00 0.00 +0.030 A BRANCH 23 25 ATOM 25 C LIG 1 -4.094 -4.098 1.424 0.00 0.00 +0.021 C ATOM 26 C LIG 1 -5.366 -4.319 0.641 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -5.435 -3.799 2.050 0.00 0.00 +0.009 C ENDBRANCH 23 25 BRANCH 19 28 ATOM 28 N LIG 1 -3.012 0.496 -0.350 0.00 0.00 -0.339 N ATOM 29 H LIG 1 -2.212 0.943 -0.824 0.00 0.00 +0.146 HD BRANCH 28 32 ATOM 30 C LIG 1 -5.029 1.474 -2.854 0.00 0.00 +0.121 C ATOM 31 C LIG 1 -4.359 0.151 -2.413 0.00 0.00 +0.054 C ATOM 32 C LIG 1 -4.268 0.745 -0.992 0.00 0.00 +0.075 C ATOM 33 C LIG 1 -4.338 2.144 -1.641 0.00 0.00 +0.054 C BRANCH 30 35 ATOM 34 C LIG 1 -7.106 2.656 -3.284 0.00 0.00 +0.194 C ATOM 35 O LIG 1 -6.475 1.461 -2.845 0.00 0.00 -0.380 OA ENDBRANCH 30 35 ENDBRANCH 28 32 ENDBRANCH 19 28 ENDBRANCH 1 20 BRANCH 2 36 ATOM 36 C LIG 1 1.025 -0.395 2.450 0.00 0.00 +0.111 C BRANCH 36 37 ATOM 37 C LIG 1 -0.054 -0.073 3.504 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -0.027 1.395 3.926 0.00 0.00 +0.009 C ATOM 39 C LIG 1 0.140 -0.970 4.729 0.00 0.00 +0.009 C ENDBRANCH 36 37 ENDBRANCH 2 36 TORSDOF 10