REMARK Name = BDB014779 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.594 -0.564 -0.654 0.00 0.00 -0.018 A ATOM 2 C LIG 1 1.027 -1.836 -0.511 0.00 0.00 +0.010 A ATOM 3 C LIG 1 -0.344 -1.991 -0.264 0.00 0.00 +0.024 A ATOM 4 C LIG 1 -1.198 -0.882 -0.152 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -0.627 0.385 -0.289 0.00 0.00 +0.024 A ATOM 6 C LIG 1 0.744 0.543 -0.539 0.00 0.00 +0.010 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 5.373 -0.816 -0.294 0.00 0.00 -0.030 A ATOM 8 C LIG 1 3.994 -0.960 -0.058 0.00 0.00 +0.013 A ATOM 9 C LIG 1 3.032 -0.396 -0.915 0.00 0.00 -0.018 A ATOM 10 C LIG 1 3.484 0.335 -2.024 0.00 0.00 +0.008 A ATOM 11 C LIG 1 4.848 0.497 -2.268 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.786 -0.069 -1.406 0.00 0.00 +0.005 A BRANCH 7 13 ATOM 13 C LIG 1 6.358 -1.405 0.686 0.00 0.00 +0.139 C BRANCH 13 15 ATOM 14 C LIG 1 8.786 -1.451 -0.056 0.00 0.00 +0.215 C ATOM 15 N LIG 1 7.526 -1.969 0.043 0.00 0.00 -0.311 N ATOM 16 H LIG 1 7.399 -2.816 -0.497 0.00 0.00 +0.149 HD ATOM 17 O LIG 1 9.634 -2.093 -0.671 0.00 0.00 -0.276 OA BRANCH 14 18 ATOM 18 C LIG 1 9.082 -0.148 0.663 0.00 0.00 +0.124 C BRANCH 18 19 ATOM 19 C LIG 1 10.364 0.511 0.162 0.00 0.00 +0.168 C BRANCH 19 21 ATOM 20 C LIG 1 9.715 2.616 -0.747 0.00 0.00 +0.194 C ATOM 21 O LIG 1 10.114 1.279 -1.020 0.00 0.00 -0.382 OA ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 1 9 BRANCH 4 22 ATOM 22 N LIG 1 -2.569 -1.108 0.108 0.00 0.00 -0.298 N ATOM 23 H LIG 1 -2.779 -2.096 0.104 0.00 0.00 +0.154 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.599 -0.250 0.319 0.00 0.00 +0.150 A ATOM 25 C LIG 1 -4.931 -0.706 0.519 0.00 0.00 +0.032 A ATOM 26 C LIG 1 -5.505 -2.076 0.544 0.00 0.00 +0.148 C ATOM 27 N LIG 1 -6.980 -2.032 0.638 0.00 0.00 -0.297 N ATOM 28 C LIG 1 -7.579 -0.936 1.429 0.00 0.00 +0.114 C ATOM 29 C LIG 1 -7.140 0.462 0.949 0.00 0.00 +0.074 C ATOM 30 C LIG 1 -7.772 -3.143 0.371 0.00 0.00 +0.213 C ATOM 31 O LIG 1 -8.967 -3.197 0.661 0.00 0.00 -0.276 OA ATOM 32 C LIG 1 -7.110 -4.311 -0.318 0.00 0.00 +0.109 C ATOM 33 C LIG 1 -5.678 0.437 0.712 0.00 0.00 +0.047 A ATOM 34 N LIG 1 -4.817 1.483 0.606 0.00 0.00 -0.266 N ATOM 35 N LIG 1 -3.550 1.085 0.384 0.00 0.00 -0.155 NA BRANCH 34 36 ATOM 36 C LIG 1 -5.110 2.907 0.707 0.00 0.00 +0.147 C BRANCH 36 37 ATOM 37 C LIG 1 -5.468 3.498 -0.624 0.00 0.00 +0.010 C ATOM 38 C LIG 1 -6.905 3.628 -1.063 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -6.120 4.856 -0.695 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 22 24 ENDBRANCH 4 22 TORSDOF 10