REMARK Name = BDB050643 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.267 -0.078 -1.800 0.00 0.00 +0.267 C ATOM 2 N LIG 1 -0.109 0.222 -1.947 0.00 0.00 -0.292 N ATOM 3 O LIG 1 2.120 0.713 -2.209 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 12 ATOM 4 C LIG 1 2.938 -1.529 -0.515 0.00 0.00 +0.056 A ATOM 5 N LIG 1 2.915 -2.829 -0.046 0.00 0.00 -0.303 N ATOM 6 C LIG 1 1.691 -3.369 -0.426 0.00 0.00 +0.139 A ATOM 7 C LIG 1 1.430 -4.724 -0.074 0.00 0.00 +0.047 A ATOM 8 C LIG 1 2.348 -5.425 0.618 0.00 0.00 +0.005 A ATOM 9 C LIG 1 3.611 -4.828 1.017 0.00 0.00 +0.018 A ATOM 10 N LIG 1 0.955 -2.492 -1.067 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 3.867 -3.554 0.676 0.00 0.00 +0.093 A ATOM 12 C LIG 1 1.701 -1.327 -1.131 0.00 0.00 +0.147 A BRANCH 4 13 ATOM 13 C LIG 1 4.098 -0.600 -0.335 0.00 0.00 +0.056 C BRANCH 13 14 ATOM 14 C LIG 1 3.875 0.344 0.848 0.00 0.00 +0.008 C BRANCH 14 15 ATOM 15 C LIG 1 5.053 1.300 1.028 0.00 0.00 +0.028 C BRANCH 15 16 ATOM 16 C LIG 1 4.824 2.253 2.199 0.00 0.00 +0.159 C BRANCH 16 18 ATOM 17 C LIG 1 7.037 2.700 2.951 0.00 0.00 +0.193 C ATOM 18 O LIG 1 5.878 3.209 2.307 0.00 0.00 -0.383 OA ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 4 13 ENDBRANCH 1 12 BRANCH 2 19 ATOM 19 C LIG 1 -1.204 -0.684 -1.530 0.00 0.00 +0.091 C ATOM 20 C LIG 1 -2.467 0.030 -1.017 0.00 0.00 +0.037 C ATOM 21 C LIG 1 -3.526 -1.001 -0.595 0.00 0.00 +0.091 C ATOM 22 C LIG 1 -3.827 -1.943 -1.771 0.00 0.00 +0.093 C ATOM 23 N LIG 1 -2.624 -2.639 -2.248 0.00 0.00 -0.313 NA ATOM 24 H LIG 1 -2.241 -3.220 -1.501 0.00 0.00 +0.122 HD ATOM 25 C LIG 1 -1.590 -1.677 -2.658 0.00 0.00 +0.103 C BRANCH 21 26 ATOM 26 C LIG 1 -4.795 -0.281 -0.147 0.00 0.00 +0.220 C ATOM 27 N LIG 1 -4.845 0.191 1.156 0.00 0.00 -0.297 N ATOM 28 C LIG 1 -3.860 -0.089 2.207 0.00 0.00 +0.136 C ATOM 29 C LIG 1 -4.011 0.878 3.384 0.00 0.00 +0.179 C ATOM 30 O LIG 1 -5.309 0.839 3.987 0.00 0.00 -0.377 OA ATOM 31 C LIG 1 -6.371 0.534 3.071 0.00 0.00 +0.179 C ATOM 32 C LIG 1 -6.054 0.885 1.614 0.00 0.00 +0.136 C ATOM 33 O LIG 1 -5.720 -0.088 -0.938 0.00 0.00 -0.275 OA ENDBRANCH 21 26 ENDBRANCH 2 19 BRANCH 2 34 ATOM 34 C LIG 1 -0.438 1.387 -2.783 0.00 0.00 +0.111 C BRANCH 34 35 ATOM 35 C LIG 1 -0.683 2.694 -1.998 0.00 0.00 +0.000 C ATOM 36 C LIG 1 0.555 3.185 -1.246 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -1.168 3.784 -2.958 0.00 0.00 +0.009 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 10