REMARK Name = BDB024349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.784 -1.171 -1.363 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.792 -2.531 -0.663 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.596 -2.799 0.457 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.586 -4.057 1.064 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.782 -5.073 0.555 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.995 -4.835 -0.569 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.005 -3.579 -1.177 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.337 -0.649 -1.609 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.413 -0.562 -0.454 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.036 -0.953 0.401 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.032 -0.309 -2.732 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.712 -0.088 -0.294 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.166 -0.192 0.970 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 3.422 0.242 1.225 0.00 0.00 +0.116 A ATOM 15 C LIG 1 4.286 0.776 0.273 0.00 0.00 -0.024 A ATOM 16 C LIG 1 3.771 0.897 -1.020 0.00 0.00 +0.009 A ATOM 17 C LIG 1 2.478 0.457 -1.311 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.665 1.266 0.640 0.00 0.00 +0.046 C ATOM 19 C LIG 1 6.386 0.464 1.728 0.00 0.00 +0.116 C ATOM 20 N LIG 1 7.768 0.821 1.545 0.00 0.00 -0.304 N ATOM 21 C LIG 1 8.799 0.369 2.449 0.00 0.00 +0.132 C ATOM 22 C LIG 1 8.024 1.195 0.234 0.00 0.00 +0.216 C ATOM 23 O LIG 1 9.117 1.381 -0.274 0.00 0.00 -0.276 OA ATOM 24 C LIG 1 6.704 1.266 -0.494 0.00 0.00 +0.105 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.540 -0.136 -0.616 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -1.977 0.206 0.161 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.943 0.985 -1.473 0.00 0.00 +0.089 C BRANCH 27 29 ATOM 28 C LIG 1 -4.065 3.247 -1.594 0.00 0.00 +0.014 C ATOM 29 C LIG 1 -3.705 2.074 -0.675 0.00 0.00 +0.030 C BRANCH 29 30 ATOM 30 C LIG 1 -4.953 1.565 0.035 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -5.119 1.810 1.407 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.255 1.354 2.082 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -7.244 0.649 1.392 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -7.094 0.405 0.025 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.957 0.862 -0.649 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -8.408 0.179 2.084 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -9.350 -0.201 2.647 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9