REMARK Name = BDB039479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.362 -0.613 0.269 0.00 0.00 +0.074 A ATOM 2 N LIG 1 0.208 -1.919 -0.052 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 1.299 -2.682 0.166 0.00 0.00 +0.142 A ATOM 4 C LIG 1 2.523 -2.268 0.688 0.00 0.00 +0.023 A ATOM 5 C LIG 1 3.364 -3.419 0.734 0.00 0.00 +0.029 A ATOM 6 C LIG 1 2.643 -4.490 0.248 0.00 0.00 +0.088 A ATOM 7 C LIG 1 2.665 -0.909 1.034 0.00 0.00 -0.021 A ATOM 8 N LIG 1 1.401 -4.027 -0.092 0.00 0.00 -0.329 N ATOM 9 C LIG 1 1.540 -0.091 0.811 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 -5.314 1.425 -0.377 0.00 0.00 -0.282 N ATOM 11 C LIG 1 -4.388 2.423 -0.641 0.00 0.00 +0.248 C ATOM 12 O LIG 1 -4.601 3.578 -0.956 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -3.060 1.825 -0.469 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.228 0.513 -0.040 0.00 0.00 -0.017 A ATOM 15 C LIG 1 -2.125 -0.289 0.203 0.00 0.00 +0.016 A ATOM 16 C LIG 1 -0.826 0.235 0.014 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -0.699 1.578 -0.434 0.00 0.00 +0.011 A ATOM 18 C LIG 1 -1.817 2.385 -0.674 0.00 0.00 +0.014 A ATOM 19 C LIG 1 -4.680 0.202 0.101 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 -10.543 1.071 1.222 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -9.440 1.335 0.753 0.00 0.00 +0.219 C ATOM 22 N LIG 1 -8.473 1.937 1.517 0.00 0.00 -0.255 N ATOM 23 H LIG 1 -8.718 2.056 2.491 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 -7.120 1.919 1.262 0.00 0.00 +0.240 C ATOM 25 O LIG 1 -6.316 2.055 2.181 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 -6.734 1.712 -0.212 0.00 0.00 +0.163 C ATOM 27 C LIG 1 -7.622 0.625 -0.810 0.00 0.00 +0.041 C ATOM 28 C LIG 1 -9.080 1.038 -0.684 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 8 29 ATOM 29 C LIG 1 0.303 -4.851 -0.661 0.00 0.00 +0.089 C ATOM 30 C LIG 1 0.541 -6.021 -1.585 0.00 0.00 +0.027 C ATOM 31 C LIG 1 0.015 -6.260 -0.199 0.00 0.00 +0.027 C ENDBRANCH 8 29 BRANCH 7 32 ATOM 32 C LIG 1 3.924 -0.308 1.620 0.00 0.00 +0.120 C BRANCH 32 33 ATOM 33 N LIG 1 4.486 0.768 0.788 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 4.969 0.258 -0.510 0.00 0.00 +0.085 C ATOM 35 C LIG 1 6.037 1.145 -1.168 0.00 0.00 +0.021 C ATOM 36 C LIG 1 5.841 2.616 -0.794 0.00 0.00 +0.017 C ATOM 37 C LIG 1 5.911 2.775 0.738 0.00 0.00 +0.021 C ATOM 38 C LIG 1 5.540 1.493 1.496 0.00 0.00 +0.085 C BRANCH 36 39 ATOM 39 C LIG 1 6.822 3.536 -1.524 0.00 0.00 +0.159 C BRANCH 39 40 ATOM 40 O LIG 1 8.174 3.166 -1.287 0.00 0.00 -0.395 OA ATOM 41 H LIG 1 8.420 3.491 -0.406 0.00 0.00 +0.209 HD ENDBRANCH 39 40 ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 7