REMARK Name = BDB019957 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.198 -0.386 -1.754 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.586 -1.506 -1.009 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.832 -1.538 -0.364 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -2.688 -0.432 -0.492 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.316 0.703 -1.230 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.070 0.705 -1.872 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.234 -2.700 0.434 0.00 0.00 -0.004 A ATOM 8 C LIG 1 -2.634 -3.879 -0.241 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -3.026 -4.993 0.494 0.00 0.00 +0.066 A ATOM 10 N LIG 1 -3.348 -5.948 -0.434 0.00 0.00 -0.277 N ATOM 11 H LIG 1 -3.676 -6.891 -0.261 0.00 0.00 +0.189 HD ATOM 12 N LIG 1 -3.203 -5.550 -1.709 0.00 0.00 -0.181 NA ATOM 13 C LIG 1 -3.052 -5.016 1.888 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -2.658 -3.850 2.551 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -2.775 -4.290 -1.589 0.00 0.00 +0.143 A ATOM 16 C LIG 1 -2.244 -2.703 1.853 0.00 0.00 -0.042 A ATOM 17 C LIG 1 -1.846 -1.479 2.638 0.00 0.00 +0.044 C ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 2.132 -1.089 -1.944 0.00 0.00 -0.307 N ATOM 19 H LIG 1 2.030 -1.487 -1.021 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 1.115 -0.314 -2.456 0.00 0.00 +0.244 C ATOM 21 O LIG 1 1.250 0.436 -3.416 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 3.482 -0.997 -2.456 0.00 0.00 +0.140 C BRANCH 22 27 ATOM 23 C LIG 1 4.971 2.122 -0.859 0.00 0.00 +0.124 A ATOM 24 C LIG 1 5.845 1.557 0.077 0.00 0.00 +0.091 A ATOM 25 C LIG 1 5.961 0.172 0.196 0.00 0.00 +0.124 A ATOM 26 C LIG 1 5.196 -0.652 -0.632 0.00 0.00 +0.051 A ATOM 27 C LIG 1 4.324 -0.105 -1.583 0.00 0.00 -0.023 A ATOM 28 C LIG 1 4.216 1.291 -1.686 0.00 0.00 +0.051 A BRANCH 23 30 ATOM 29 C LIG 1 4.021 4.114 -1.744 0.00 0.00 +0.277 C ATOM 30 O LIG 1 4.948 3.491 -0.862 0.00 0.00 -0.495 OA ENDBRANCH 23 30 BRANCH 25 31 ATOM 31 O LIG 1 6.771 -0.496 1.074 0.00 0.00 -0.495 OA ATOM 32 C LIG 1 7.573 0.301 1.937 0.00 0.00 +0.277 C ENDBRANCH 25 31 ENDBRANCH 22 27 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 33 ATOM 33 C LIG 1 -3.246 1.888 -1.372 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 N LIG 1 -3.870 2.257 -0.117 0.00 0.00 -0.313 N ATOM 35 C LIG 1 -3.210 2.811 0.987 0.00 0.00 +0.204 A ATOM 36 N LIG 1 -1.959 3.044 1.166 0.00 0.00 -0.268 NA ATOM 37 H LIG 1 -1.439 2.729 0.347 0.00 0.00 +0.190 HD ATOM 38 N LIG 1 -4.235 3.085 1.896 0.00 0.00 -0.320 N ATOM 39 C LIG 1 -4.018 3.777 3.141 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -5.462 2.758 1.342 0.00 0.00 +0.106 A ATOM 41 C LIG 1 -5.242 2.252 0.121 0.00 0.00 +0.107 A ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 8