REMARK Name = BDB043033 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.480 3.225 0.004 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -0.509 1.878 0.310 0.00 0.00 +0.163 A ATOM 3 N LIG 1 0.780 1.390 0.098 0.00 0.00 -0.200 N ATOM 4 C LIG 1 1.092 0.025 0.308 0.00 0.00 +0.126 A ATOM 5 C LIG 1 0.101 -0.781 0.724 0.00 0.00 +0.087 A ATOM 6 C LIG 1 -1.266 -0.190 0.937 0.00 0.00 +0.124 A ATOM 7 N LIG 1 1.622 2.373 -0.339 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -1.528 1.077 0.735 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 0.856 3.462 -0.387 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -2.002 4.706 -1.324 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -1.619 4.197 0.068 0.00 0.00 +0.018 C ATOM 12 C LIG 1 -1.315 5.369 1.003 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 -2.269 -1.038 1.358 0.00 0.00 -0.329 N ATOM 14 H LIG 1 -1.991 -1.943 1.717 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 -3.572 -0.583 1.821 0.00 0.00 +0.109 C BRANCH 15 16 ATOM 16 C LIG 1 -4.657 -0.685 0.742 0.00 0.00 +0.037 C ATOM 17 C LIG 1 -4.892 -2.140 0.283 0.00 0.00 +0.133 C ATOM 18 C LIG 1 -5.364 -2.216 -1.186 0.00 0.00 +0.112 C ATOM 19 N LIG 1 -6.287 -1.125 -1.514 0.00 0.00 -0.314 NA ATOM 20 H LIG 1 -7.036 -1.137 -0.817 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -5.607 0.178 -1.432 0.00 0.00 +0.081 C ATOM 22 C LIG 1 -4.412 0.221 -0.469 0.00 0.00 +0.023 C BRANCH 17 23 ATOM 23 O LIG 1 -5.873 -2.714 1.157 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 -6.115 -3.586 0.797 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 2.411 -0.369 0.071 0.00 0.00 -0.321 N ATOM 26 H LIG 1 2.955 0.393 -0.354 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 2.883 -1.684 -0.358 0.00 0.00 +0.119 C ATOM 28 C LIG 1 2.428 -1.952 -1.797 0.00 0.00 +0.034 C BRANCH 27 29 ATOM 29 C LIG 1 4.380 -1.845 -0.231 0.00 0.00 +0.080 A ATOM 30 N LIG 1 5.242 -1.250 -1.133 0.00 0.00 -0.231 NA ATOM 31 C LIG 1 6.454 -1.552 -0.720 0.00 0.00 +0.138 A ATOM 32 N LIG 1 6.417 -2.329 0.432 0.00 0.00 -0.306 N ATOM 33 C LIG 1 7.556 -2.790 1.088 0.00 0.00 +0.092 A ATOM 34 C LIG 1 8.766 -2.477 0.594 0.00 0.00 +0.018 A ATOM 35 C LIG 1 8.846 -1.664 -0.612 0.00 0.00 +0.005 A ATOM 36 C LIG 1 7.738 -1.222 -1.239 0.00 0.00 +0.047 A ATOM 37 C LIG 1 5.095 -2.517 0.742 0.00 0.00 +0.117 A ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 8