REMARK Name = BDB024120 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.826 -1.343 1.857 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.648 -2.860 1.756 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.493 -3.676 0.987 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.303 -5.059 0.930 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.277 -5.655 1.658 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.450 -4.872 2.456 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.640 -3.489 2.514 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.398 -1.034 0.824 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.161 -1.909 0.376 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.520 -0.505 1.717 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.419 0.564 2.318 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.134 0.559 -0.210 0.00 0.00 +0.020 A ATOM 13 C LIG 1 3.268 1.151 0.706 0.00 0.00 +0.123 A ATOM 14 N LIG 1 2.051 0.667 1.059 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 1.639 -0.479 0.500 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.425 -1.164 -0.417 0.00 0.00 +0.044 A ATOM 17 C LIG 1 3.673 -0.640 -0.769 0.00 0.00 +0.015 A BRANCH 12 22 ATOM 18 C LIG 1 9.327 2.392 -1.717 0.00 0.00 +0.067 C ATOM 19 C LIG 1 7.949 1.984 -1.303 0.00 0.00 +0.061 A ATOM 20 N LIG 1 7.610 0.688 -1.435 0.00 0.00 -0.154 NA ATOM 21 N LIG 1 6.354 0.264 -1.067 0.00 0.00 -0.149 NA ATOM 22 C LIG 1 5.443 1.131 -0.567 0.00 0.00 +0.095 A ATOM 23 C LIG 1 5.775 2.474 -0.432 0.00 0.00 +0.032 A ATOM 24 C LIG 1 7.047 2.908 -0.803 0.00 0.00 +0.027 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.907 -0.768 1.009 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -3.129 0.147 1.413 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.541 -0.542 -0.397 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -3.742 -0.091 -1.270 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -4.842 -1.159 -1.330 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -4.242 1.295 -0.878 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -5.264 1.488 0.064 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.683 2.777 0.411 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.082 3.893 -0.174 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -4.057 3.715 -1.106 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -3.640 2.427 -1.453 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -5.513 5.214 0.180 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -5.864 6.283 0.463 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9