REMARK Name = BDB021076 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.954 -0.652 -1.221 0.00 0.00 -0.283 N ATOM 2 C LIG 1 -0.544 -0.646 -1.026 0.00 0.00 +0.038 A ATOM 3 C LIG 1 0.302 -1.576 -1.666 0.00 0.00 -0.025 A ATOM 4 C LIG 1 1.692 -1.575 -1.421 0.00 0.00 +0.014 A ATOM 5 C LIG 1 2.277 -0.644 -0.557 0.00 0.00 -0.015 A ATOM 6 C LIG 1 1.448 0.289 0.066 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.250 -2.613 -2.606 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.620 -2.207 -3.112 0.00 0.00 +0.024 C ATOM 9 C LIG 1 0.066 0.283 -0.165 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -2.492 -1.820 -1.930 0.00 0.00 +0.113 C ENDROOT BRANCH 1 20 ATOM 11 C LIG 1 -5.993 -2.817 2.137 0.00 0.00 +0.109 C ATOM 12 C LIG 1 -6.684 -1.519 1.800 0.00 0.00 +0.213 C ATOM 13 N LIG 1 -6.001 -0.629 0.981 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -4.803 -1.005 0.230 0.00 0.00 +0.164 C ATOM 15 C LIG 1 -4.054 0.186 -0.241 0.00 0.00 +0.078 A ATOM 16 N LIG 1 -4.515 1.477 -0.089 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -3.551 2.334 -0.547 0.00 0.00 +0.115 A ATOM 18 N LIG 1 -2.524 1.653 -1.010 0.00 0.00 -0.217 NA ATOM 19 C LIG 1 -5.785 1.784 0.532 0.00 0.00 +0.142 C ATOM 20 C LIG 1 -2.819 0.329 -0.839 0.00 0.00 +0.149 A ATOM 21 C LIG 1 -6.703 0.569 0.523 0.00 0.00 +0.129 C ATOM 22 O LIG 1 -7.802 -1.277 2.256 0.00 0.00 -0.276 OA BRANCH 17 23 ATOM 23 C LIG 1 -3.503 3.893 -0.575 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -4.633 4.677 -1.185 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -4.353 4.777 0.290 0.00 0.00 +0.012 C ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 5 26 ATOM 26 C LIG 1 3.712 -0.655 -0.329 0.00 0.00 +0.020 A ATOM 27 C LIG 1 4.343 -0.219 0.818 0.00 0.00 +0.117 A ATOM 28 N LIG 1 5.682 -0.415 0.625 0.00 0.00 -0.268 N ATOM 29 N LIG 1 5.972 -0.960 -0.572 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 4.776 -1.101 -1.149 0.00 0.00 +0.142 A BRANCH 28 31 ATOM 31 C LIG 1 6.751 -0.098 1.568 0.00 0.00 +0.111 C ATOM 32 C LIG 1 7.657 -1.305 1.851 0.00 0.00 +0.055 C ATOM 33 C LIG 1 8.964 -1.174 1.086 0.00 0.00 +0.162 C ATOM 34 O LIG 1 9.697 -0.015 1.486 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 8.913 1.144 1.764 0.00 0.00 +0.162 C ATOM 36 C LIG 1 7.547 1.128 1.100 0.00 0.00 +0.055 C ENDBRANCH 28 31 ENDBRANCH 5 26 TORSDOF 4