REMARK Name = BDB034650 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.694 -0.042 -0.154 0.00 0.00 +0.269 C ATOM 2 N LIG 1 0.532 0.466 0.333 0.00 0.00 -0.292 N ATOM 3 O LIG 1 -0.878 -1.257 -0.298 0.00 0.00 -0.268 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 1.644 -0.513 0.377 0.00 0.00 +0.091 C ATOM 5 C LIG 1 3.071 0.061 0.310 0.00 0.00 +0.037 C ATOM 6 C LIG 1 4.062 -1.103 0.435 0.00 0.00 +0.091 C ATOM 7 C LIG 1 3.942 -1.704 1.853 0.00 0.00 +0.093 C ATOM 8 N LIG 1 2.602 -1.618 2.446 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 2.471 -2.361 3.132 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 1.507 -1.608 1.476 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 5.499 -0.682 0.121 0.00 0.00 +0.220 C ATOM 12 N LIG 1 5.772 -0.171 -1.151 0.00 0.00 -0.294 N ATOM 13 C LIG 1 5.031 -0.568 -2.371 0.00 0.00 +0.099 C ATOM 14 C LIG 1 4.746 0.636 -3.274 0.00 0.00 +0.030 C ATOM 15 C LIG 1 5.841 -1.651 -3.121 0.00 0.00 +0.182 C ATOM 16 O LIG 1 7.180 -1.212 -3.405 0.00 0.00 -0.376 OA ATOM 17 C LIG 1 7.885 -0.888 -2.193 0.00 0.00 +0.179 C ATOM 18 C LIG 1 7.162 0.223 -1.424 0.00 0.00 +0.136 C ATOM 19 O LIG 1 6.388 -0.788 0.968 0.00 0.00 -0.275 OA ENDBRANCH 6 11 ENDBRANCH 2 4 BRANCH 1 21 ATOM 20 C LIG 1 -3.148 0.500 -0.251 0.00 0.00 +0.062 A ATOM 21 C LIG 1 -1.823 0.856 -0.532 0.00 0.00 +0.168 A ATOM 22 N LIG 1 -1.503 1.955 -1.250 0.00 0.00 -0.142 NA ATOM 23 N LIG 1 -2.494 2.810 -1.659 0.00 0.00 -0.153 NA ATOM 24 C LIG 1 -3.791 2.563 -1.361 0.00 0.00 +0.068 A ATOM 25 C LIG 1 -4.130 1.408 -0.656 0.00 0.00 +0.050 A BRANCH 24 26 ATOM 26 C LIG 1 -4.849 3.534 -1.823 0.00 0.00 +0.040 C ATOM 27 C LIG 1 -4.659 5.019 -1.613 0.00 0.00 +0.010 C ATOM 28 C LIG 1 -5.687 4.281 -0.810 0.00 0.00 +0.010 C ENDBRANCH 24 26 BRANCH 20 29 ATOM 29 N LIG 1 -3.479 -0.655 0.511 0.00 0.00 -0.339 N ATOM 30 H LIG 1 -2.726 -1.353 0.423 0.00 0.00 +0.146 HD BRANCH 29 33 ATOM 31 C LIG 1 -5.755 -3.122 0.375 0.00 0.00 +0.121 C ATOM 32 C LIG 1 -4.779 -2.552 1.432 0.00 0.00 +0.054 C ATOM 33 C LIG 1 -4.784 -1.233 0.633 0.00 0.00 +0.075 C ATOM 34 C LIG 1 -5.202 -2.056 -0.602 0.00 0.00 +0.054 C BRANCH 31 36 ATOM 35 C LIG 1 -8.064 -3.576 -0.227 0.00 0.00 +0.194 C ATOM 36 O LIG 1 -7.157 -3.015 0.712 0.00 0.00 -0.380 OA ENDBRANCH 31 36 ENDBRANCH 29 33 ENDBRANCH 20 29 ENDBRANCH 1 21 BRANCH 2 37 ATOM 37 C LIG 1 0.703 1.834 0.863 0.00 0.00 +0.111 C BRANCH 37 38 ATOM 38 C LIG 1 0.318 2.085 2.338 0.00 0.00 +0.000 C ATOM 39 C LIG 1 1.253 1.427 3.345 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -1.133 1.740 2.665 0.00 0.00 +0.009 C ENDBRANCH 37 38 ENDBRANCH 2 37 TORSDOF 9