REMARK Name = BDB034635 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.122 0.704 -1.007 0.00 0.00 -0.292 N ATOM 2 C LIG 1 -0.629 -0.146 -0.172 0.00 0.00 +0.267 C ATOM 3 O LIG 1 -0.197 -0.560 0.908 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 1.545 0.937 -0.683 0.00 0.00 +0.091 C ATOM 5 C LIG 1 2.405 -0.322 -0.912 0.00 0.00 +0.037 C ATOM 6 C LIG 1 3.694 -0.310 -0.062 0.00 0.00 +0.091 C ATOM 7 C LIG 1 4.171 1.131 0.164 0.00 0.00 +0.093 C ATOM 8 N LIG 1 3.212 1.958 0.910 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 3.318 2.933 0.625 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 1.813 1.535 0.720 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 4.820 -1.113 -0.715 0.00 0.00 +0.220 C ATOM 12 N LIG 1 5.868 -1.544 0.085 0.00 0.00 -0.297 N ATOM 13 C LIG 1 5.926 -1.478 1.551 0.00 0.00 +0.136 C ATOM 14 C LIG 1 6.838 -2.571 2.122 0.00 0.00 +0.179 C ATOM 15 O LIG 1 8.181 -2.511 1.624 0.00 0.00 -0.377 OA ATOM 16 C LIG 1 8.283 -2.027 0.278 0.00 0.00 +0.179 C ATOM 17 C LIG 1 7.008 -2.213 -0.549 0.00 0.00 +0.136 C ATOM 18 O LIG 1 4.826 -1.320 -1.931 0.00 0.00 -0.275 OA ENDBRANCH 6 11 ENDBRANCH 1 4 BRANCH 2 19 ATOM 19 C LIG 1 -2.019 -0.573 -0.537 0.00 0.00 +0.146 A ATOM 20 C LIG 1 -3.045 -0.484 0.428 0.00 0.00 +0.059 A ATOM 21 C LIG 1 -4.311 -0.890 -0.007 0.00 0.00 +0.030 A ATOM 22 C LIG 1 -4.531 -1.417 -1.292 0.00 0.00 -0.024 A ATOM 23 C LIG 1 -3.411 -1.511 -2.115 0.00 0.00 +0.115 A ATOM 24 N LIG 1 -2.168 -1.106 -1.782 0.00 0.00 -0.248 NA BRANCH 22 25 ATOM 25 C LIG 1 -5.892 -1.888 -1.736 0.00 0.00 +0.021 C ATOM 26 C LIG 1 -6.521 -1.317 -2.986 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -7.083 -0.962 -1.643 0.00 0.00 +0.009 C ENDBRANCH 22 25 BRANCH 20 28 ATOM 28 N LIG 1 -2.805 0.091 1.704 0.00 0.00 -0.339 N ATOM 29 H LIG 1 -1.814 -0.052 1.947 0.00 0.00 +0.146 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.601 0.260 2.878 0.00 0.00 +0.070 C ATOM 31 C LIG 1 -4.388 -0.966 3.369 0.00 0.00 +0.022 C ATOM 32 C LIG 1 -5.547 0.000 3.703 0.00 0.00 +0.004 C ATOM 33 C LIG 1 -4.929 1.017 2.717 0.00 0.00 +0.022 C ENDBRANCH 28 30 ENDBRANCH 20 28 ENDBRANCH 2 19 BRANCH 1 34 ATOM 34 C LIG 1 -0.398 1.344 -2.227 0.00 0.00 +0.111 C BRANCH 34 36 ATOM 35 C LIG 1 -1.961 2.938 -0.964 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.910 2.793 -2.063 0.00 0.00 +0.000 C ATOM 37 C LIG 1 0.209 3.815 -1.872 0.00 0.00 +0.009 C ENDBRANCH 34 36 ENDBRANCH 1 34 TORSDOF 8