REMARK Name = BDB014750 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.861 -0.173 -0.213 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -0.581 -1.138 -0.327 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 -5.492 -5.276 0.224 0.00 0.00 +0.109 C ATOM 4 C LIG 1 -4.202 -4.511 0.076 0.00 0.00 +0.213 C ATOM 5 N LIG 1 -4.286 -3.130 -0.039 0.00 0.00 -0.297 N ATOM 6 C LIG 1 -3.007 -2.430 -0.275 0.00 0.00 +0.148 C ATOM 7 C LIG 1 -3.148 -0.970 -0.038 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -2.181 0.071 -0.015 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -2.770 1.248 0.225 0.00 0.00 -0.155 NA ATOM 10 N LIG 1 -4.081 0.974 0.356 0.00 0.00 -0.266 N ATOM 11 C LIG 1 -4.355 -0.348 0.198 0.00 0.00 +0.047 A ATOM 12 C LIG 1 -5.662 -1.038 0.277 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -5.531 -2.417 -0.405 0.00 0.00 +0.114 C ATOM 14 O LIG 1 -3.126 -5.110 0.071 0.00 0.00 -0.276 OA BRANCH 10 15 ATOM 15 C LIG 1 -5.013 2.053 0.657 0.00 0.00 +0.147 C BRANCH 15 16 ATOM 16 C LIG 1 -5.596 2.655 -0.588 0.00 0.00 +0.010 C ATOM 17 C LIG 1 -6.135 4.064 -0.568 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -4.871 3.755 -1.322 0.00 0.00 +0.005 C ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 1 8 BRANCH 1 19 ATOM 19 C LIG 1 0.258 0.691 -0.267 0.00 0.00 +0.033 A ATOM 20 C LIG 1 1.536 0.125 -0.439 0.00 0.00 +0.031 A ATOM 21 C LIG 1 2.705 0.908 -0.501 0.00 0.00 -0.016 A ATOM 22 C LIG 1 2.574 2.297 -0.384 0.00 0.00 +0.008 A ATOM 23 C LIG 1 1.319 2.880 -0.214 0.00 0.00 +0.002 A ATOM 24 C LIG 1 0.174 2.081 -0.157 0.00 0.00 +0.023 A BRANCH 21 25 ATOM 25 C LIG 1 4.027 0.284 -0.682 0.00 0.00 -0.017 A ATOM 26 C LIG 1 5.080 0.544 0.214 0.00 0.00 +0.015 A ATOM 27 C LIG 1 6.356 -0.042 0.070 0.00 0.00 -0.016 A ATOM 28 C LIG 1 6.561 -0.900 -1.019 0.00 0.00 +0.006 A ATOM 29 C LIG 1 5.530 -1.171 -1.920 0.00 0.00 +0.001 A ATOM 30 C LIG 1 4.275 -0.586 -1.751 0.00 0.00 +0.008 A BRANCH 27 31 ATOM 31 C LIG 1 7.452 0.293 1.080 0.00 0.00 +0.085 C ATOM 32 C LIG 1 7.948 1.729 0.873 0.00 0.00 +0.046 C ATOM 33 C LIG 1 8.652 -0.664 1.072 0.00 0.00 +0.046 C BRANCH 31 34 ATOM 34 O LIG 1 6.903 0.215 2.404 0.00 0.00 -0.385 OA ATOM 35 H LIG 1 6.286 -0.538 2.412 0.00 0.00 +0.211 HD ENDBRANCH 31 34 ENDBRANCH 27 31 ENDBRANCH 21 25 ENDBRANCH 1 19 TORSDOF 7