REMARK Name = BDB062833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.258 -0.357 -3.868 0.00 0.00 +0.150 C ATOM 2 N LIG 1 0.665 -0.410 -2.544 0.00 0.00 -0.331 N ATOM 3 C LIG 1 -0.411 -1.191 -2.184 0.00 0.00 +0.125 A ATOM 4 C LIG 1 -0.684 -0.964 -0.845 0.00 0.00 +0.003 A ATOM 5 C LIG 1 0.273 -0.005 -0.402 0.00 0.00 +0.038 A ATOM 6 C LIG 1 1.112 0.321 -1.456 0.00 0.00 +0.106 A ENDROOT BRANCH 6 7 ATOM 7 C LIG 1 2.196 1.292 -1.510 0.00 0.00 +0.263 C ATOM 8 N LIG 1 3.078 1.356 -0.430 0.00 0.00 -0.293 N ATOM 9 C LIG 1 4.163 2.338 -0.477 0.00 0.00 +0.127 C ATOM 10 C LIG 1 5.533 1.657 -0.647 0.00 0.00 +0.124 C ATOM 11 N LIG 1 5.768 0.629 0.395 0.00 0.00 -0.327 N ATOM 12 C LIG 1 4.630 0.306 1.271 0.00 0.00 +0.124 C ATOM 13 C LIG 1 3.315 0.214 0.466 0.00 0.00 +0.127 C ATOM 14 O LIG 1 2.332 2.025 -2.489 0.00 0.00 -0.268 OA BRANCH 11 15 ATOM 15 C LIG 1 7.079 0.375 0.791 0.00 0.00 +0.030 A ATOM 16 C LIG 1 7.415 0.005 2.103 0.00 0.00 +0.023 A ATOM 17 C LIG 1 8.738 -0.256 2.483 0.00 0.00 +0.002 A ATOM 18 C LIG 1 9.764 -0.161 1.552 0.00 0.00 +0.000 A ATOM 19 C LIG 1 9.465 0.191 0.242 0.00 0.00 +0.002 A ATOM 20 C LIG 1 8.140 0.452 -0.128 0.00 0.00 +0.023 A ENDBRANCH 11 15 ENDBRANCH 6 7 BRANCH 3 21 ATOM 21 C LIG 1 -1.119 -2.060 -3.066 0.00 0.00 +0.118 C ATOM 22 N LIG 1 -1.686 -2.765 -3.791 0.00 0.00 -0.189 NA ENDBRANCH 3 21 BRANCH 4 23 ATOM 23 C LIG 1 -1.769 -1.579 -0.006 0.00 0.00 +0.122 C BRANCH 23 24 ATOM 24 N LIG 1 -2.632 -0.528 0.549 0.00 0.00 -0.295 NA ATOM 25 C LIG 1 -3.429 0.139 -0.512 0.00 0.00 +0.103 C ATOM 26 C LIG 1 -4.752 0.751 -0.000 0.00 0.00 +0.120 C ATOM 27 N LIG 1 -5.636 -0.313 0.514 0.00 0.00 -0.326 N ATOM 28 C LIG 1 -4.947 -1.442 1.178 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -3.513 -1.057 1.615 0.00 0.00 +0.103 C BRANCH 27 30 ATOM 30 C LIG 1 -6.969 -0.044 0.825 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -7.981 -1.036 0.841 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -9.312 -0.715 1.171 0.00 0.00 +0.021 A ATOM 33 C LIG 1 -9.673 0.593 1.479 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -8.707 1.586 1.450 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -7.382 1.271 1.124 0.00 0.00 +0.024 A BRANCH 31 36 ATOM 36 C LIG 1 -7.724 -2.402 0.477 0.00 0.00 +0.101 C ATOM 37 N LIG 1 -7.545 -3.519 0.214 0.00 0.00 -0.191 NA ENDBRANCH 31 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 7