REMARK Name = BDB015023 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.037 -0.358 -1.288 0.00 0.00 +0.121 A ATOM 2 C LIG 1 1.359 -0.459 -1.326 0.00 0.00 +0.054 A ATOM 3 C LIG 1 2.152 -0.178 -0.200 0.00 0.00 -0.014 A ATOM 4 C LIG 1 1.500 0.212 0.979 0.00 0.00 +0.009 A ATOM 5 C LIG 1 0.109 0.315 1.027 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.659 0.030 -0.103 0.00 0.00 +0.045 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 3.620 -0.289 -0.256 0.00 0.00 -0.014 A ATOM 8 C LIG 1 4.442 0.771 0.158 0.00 0.00 +0.054 A ATOM 9 C LIG 1 5.834 0.658 0.117 0.00 0.00 +0.129 A ATOM 10 C LIG 1 6.432 -0.502 -0.377 0.00 0.00 +0.046 A ATOM 11 C LIG 1 5.633 -1.564 -0.792 0.00 0.00 +0.004 A ATOM 12 C LIG 1 4.241 -1.459 -0.729 0.00 0.00 +0.009 A BRANCH 9 13 ATOM 13 O LIG 1 6.562 1.759 0.509 0.00 0.00 -0.456 OA BRANCH 13 14 ATOM 14 C LIG 1 7.629 1.544 1.351 0.00 0.00 +0.128 A ATOM 15 C LIG 1 8.813 2.220 1.056 0.00 0.00 +0.046 A ATOM 16 C LIG 1 9.924 2.074 1.888 0.00 0.00 +0.004 A ATOM 17 C LIG 1 9.844 1.264 3.022 0.00 0.00 +0.000 A ATOM 18 C LIG 1 8.652 0.606 3.329 0.00 0.00 +0.004 A ATOM 19 C LIG 1 7.539 0.751 2.499 0.00 0.00 +0.046 A ENDBRANCH 13 14 ENDBRANCH 9 13 ENDBRANCH 3 7 BRANCH 1 20 ATOM 20 O LIG 1 -0.657 -0.671 -2.466 0.00 0.00 -0.489 OA BRANCH 20 21 ATOM 21 C LIG 1 -2.089 -0.587 -2.532 0.00 0.00 +0.261 C BRANCH 21 22 ATOM 22 C LIG 1 -2.710 -1.912 -2.068 0.00 0.00 +0.166 C BRANCH 22 23 ATOM 23 O LIG 1 -2.288 -2.963 -2.954 0.00 0.00 -0.387 OA ATOM 24 H LIG 1 -1.319 -2.866 -3.035 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 -4.249 -1.860 -2.070 0.00 0.00 +0.119 C BRANCH 25 26 ATOM 26 N LIG 1 -4.816 -0.860 -1.146 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -6.229 -0.601 -1.498 0.00 0.00 +0.120 C ATOM 28 C LIG 1 -6.944 0.306 -0.518 0.00 0.00 -0.030 A ATOM 29 C LIG 1 -6.465 0.471 0.793 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -7.160 1.291 1.691 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -8.339 1.923 1.299 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -8.828 1.746 0.007 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.172 -0.183 1.207 0.00 0.00 +0.051 C ATOM 34 C LIG 1 -8.136 0.939 -0.897 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -4.748 -1.311 0.255 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 9