REMARK Name = BDB038733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.100 0.695 -1.295 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.845 0.783 -0.682 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.904 -0.225 -0.857 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.171 -1.280 -1.649 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.361 -1.381 -2.286 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.340 -0.407 -2.120 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.659 -0.164 -0.199 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.357 -1.110 -0.324 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.434 -2.145 -0.961 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.468 -0.643 0.517 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.086 0.541 1.136 0.00 0.00 -0.018 A ATOM 12 C LIG 1 1.954 1.198 1.988 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.221 0.637 2.197 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.609 -0.570 1.567 0.00 0.00 -0.033 A ATOM 15 C LIG 1 2.711 -1.220 0.709 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.296 0.907 0.716 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 4.994 -1.131 1.794 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 5.989 -0.334 1.075 0.00 0.00 -0.312 NA ATOM 19 H LIG 1 5.728 -0.307 0.088 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.330 -0.895 1.230 0.00 0.00 +0.087 C BRANCH 20 21 ATOM 21 C LIG 1 8.372 -0.021 0.537 0.00 0.00 +0.031 C ATOM 22 C LIG 1 8.243 0.052 -0.976 0.00 0.00 +0.164 C ATOM 23 O LIG 1 9.553 0.343 -1.492 0.00 0.00 -0.379 OA ATOM 24 C LIG 1 10.504 0.194 -0.428 0.00 0.00 +0.160 C ATOM 25 C LIG 1 9.790 -0.536 0.689 0.00 0.00 +0.035 C ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 -5.563 2.115 0.228 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -5.140 1.721 -1.067 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -5.732 2.356 -2.178 0.00 0.00 +0.010 A ATOM 29 C LIG 1 -6.702 3.351 -2.018 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -7.099 3.742 -0.739 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -6.526 3.130 0.377 0.00 0.00 +0.031 A BRANCH 26 34 ATOM 32 C LIG 1 -5.952 -0.814 1.316 0.00 0.00 +0.152 C ATOM 33 N LIG 1 -5.169 0.245 1.894 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -5.003 1.533 1.447 0.00 0.00 +0.164 A ATOM 35 N LIG 1 -4.219 2.167 2.301 0.00 0.00 -0.129 NA ATOM 36 N LIG 1 -3.850 1.287 3.289 0.00 0.00 -0.138 NA ATOM 37 C LIG 1 -4.428 0.139 3.033 0.00 0.00 +0.225 A ENDBRANCH 26 34 BRANCH 30 38 ATOM 38 C LIG 1 -8.087 4.767 -0.574 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -8.896 5.589 -0.447 0.00 0.00 -0.191 NA ENDBRANCH 30 38 ENDBRANCH 1 27 BRANCH 5 40 ATOM 40 C LIG 1 -3.578 -2.561 -3.200 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -4.769 -3.475 -3.039 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -3.405 -3.961 -2.657 0.00 0.00 +0.010 C ENDBRANCH 5 40 TORSDOF 9