REMARK Name = BDB049104 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.379 2.609 -0.292 0.00 0.00 +0.111 A ATOM 2 N LIG 1 1.520 1.464 0.469 0.00 0.00 -0.323 N ATOM 3 C LIG 1 2.583 0.744 -0.037 0.00 0.00 +0.070 A ATOM 4 C LIG 1 3.042 1.515 -1.097 0.00 0.00 +0.089 A ATOM 5 C LIG 1 4.136 1.070 -1.851 0.00 0.00 +0.030 A ATOM 6 C LIG 1 4.737 -0.151 -1.516 0.00 0.00 +0.011 A ATOM 7 C LIG 1 4.272 -0.935 -0.446 0.00 0.00 -0.016 A ATOM 8 C LIG 1 3.174 -0.480 0.313 0.00 0.00 +0.036 A ATOM 9 N LIG 1 2.300 2.656 -1.235 0.00 0.00 -0.232 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 4.919 -2.217 -0.120 0.00 0.00 -0.018 A ATOM 11 C LIG 1 5.424 -2.466 1.167 0.00 0.00 +0.012 A ATOM 12 C LIG 1 6.035 -3.684 1.477 0.00 0.00 +0.046 A ATOM 13 C LIG 1 6.146 -4.665 0.501 0.00 0.00 +0.117 A ATOM 14 C LIG 1 5.657 -4.449 -0.782 0.00 0.00 +0.046 A ATOM 15 C LIG 1 5.047 -3.229 -1.088 0.00 0.00 +0.012 A BRANCH 13 16 ATOM 16 O LIG 1 6.748 -5.838 0.845 0.00 0.00 -0.507 OA ATOM 17 H LIG 1 6.763 -6.418 0.066 0.00 0.00 +0.292 HD ENDBRANCH 13 16 ENDBRANCH 7 10 BRANCH 1 18 ATOM 18 C LIG 1 0.327 3.653 -0.087 0.00 0.00 +0.074 C BRANCH 18 20 ATOM 19 C LIG 1 -1.875 4.566 -0.900 0.00 0.00 +0.004 C ATOM 20 C LIG 1 -0.793 3.521 -1.119 0.00 0.00 +0.004 C ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 0.736 1.096 1.641 0.00 0.00 +0.158 C BRANCH 21 22 ATOM 22 C LIG 1 -0.658 0.632 1.296 0.00 0.00 -0.028 A ATOM 23 C LIG 1 -1.762 1.178 1.967 0.00 0.00 +0.006 A ATOM 24 C LIG 1 -3.060 0.761 1.661 0.00 0.00 +0.009 A ATOM 25 C LIG 1 -3.288 -0.211 0.679 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -2.183 -0.776 0.028 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -0.883 -0.365 0.337 0.00 0.00 +0.006 A BRANCH 25 28 ATOM 28 C LIG 1 -4.651 -0.644 0.347 0.00 0.00 -0.004 A ATOM 29 C LIG 1 -5.445 -0.015 -0.632 0.00 0.00 +0.067 A ATOM 30 C LIG 1 -6.724 -0.512 -0.938 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -7.225 -1.630 -0.272 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.454 -2.257 0.702 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.180 -1.771 1.006 0.00 0.00 +0.009 A BRANCH 29 34 ATOM 34 C LIG 1 -4.974 1.196 -1.346 0.00 0.00 +0.337 C ATOM 35 O LIG 1 -4.383 2.148 -0.877 0.00 0.00 -0.245 OA BRANCH 34 36 ATOM 36 O LIG 1 -5.286 1.140 -2.655 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 -4.899 1.964 -3.019 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 29 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 9