REMARK Name = BDB043019 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.459 2.919 -1.298 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -0.530 1.960 -0.307 0.00 0.00 +0.163 A ATOM 3 N LIG 1 0.700 1.284 -0.298 0.00 0.00 -0.200 N ATOM 4 C LIG 1 0.942 0.226 0.625 0.00 0.00 +0.126 A ATOM 5 C LIG 1 -0.052 -0.097 1.473 0.00 0.00 +0.087 A ATOM 6 C LIG 1 -1.336 0.663 1.389 0.00 0.00 +0.124 A ATOM 7 N LIG 1 1.536 1.795 -1.256 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -1.547 1.643 0.546 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 0.831 2.760 -1.840 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -2.102 3.554 -3.076 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -1.527 3.893 -1.699 0.00 0.00 +0.018 C ATOM 12 C LIG 1 -1.026 5.338 -1.667 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 -2.394 0.344 2.212 0.00 0.00 -0.329 N ATOM 14 H LIG 1 -3.121 1.056 2.088 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 -3.021 -0.974 2.121 0.00 0.00 +0.109 C BRANCH 15 16 ATOM 16 C LIG 1 -3.654 -1.212 0.739 0.00 0.00 +0.037 C ATOM 17 C LIG 1 -4.834 -0.275 0.428 0.00 0.00 +0.133 C ATOM 18 C LIG 1 -5.358 -0.533 -1.002 0.00 0.00 +0.112 C ATOM 19 N LIG 1 -5.215 -1.919 -1.466 0.00 0.00 -0.314 NA ATOM 20 H LIG 1 -5.934 -2.120 -2.161 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -5.284 -2.868 -0.365 0.00 0.00 +0.081 C ATOM 22 C LIG 1 -4.104 -2.682 0.595 0.00 0.00 +0.023 C BRANCH 17 23 ATOM 23 O LIG 1 -4.482 1.100 0.572 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 -3.652 1.257 0.070 0.00 0.00 +0.210 HD ENDBRANCH 17 23 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 25 ATOM 25 N LIG 1 2.159 -0.458 0.651 0.00 0.00 -0.322 N ATOM 26 H LIG 1 2.324 -1.026 1.483 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 3.409 -0.022 0.045 0.00 0.00 +0.177 C BRANCH 27 28 ATOM 28 C LIG 1 4.577 -0.865 0.467 0.00 0.00 +0.125 A ATOM 29 N LIG 1 5.692 -1.013 -0.321 0.00 0.00 -0.341 N ATOM 30 H LIG 1 5.833 -0.594 -1.229 0.00 0.00 +0.167 HD ATOM 31 C LIG 1 6.575 -1.833 0.333 0.00 0.00 +0.066 A ATOM 32 C LIG 1 5.930 -2.152 1.523 0.00 0.00 +0.089 A ATOM 33 C LIG 1 6.571 -2.992 2.445 0.00 0.00 +0.030 A ATOM 34 C LIG 1 7.845 -3.483 2.134 0.00 0.00 +0.002 A ATOM 35 C LIG 1 8.467 -3.146 0.929 0.00 0.00 +0.002 A ATOM 36 C LIG 1 7.844 -2.309 -0.003 0.00 0.00 +0.028 A ATOM 37 N LIG 1 4.698 -1.548 1.591 0.00 0.00 -0.231 NA ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 8