REMARK Name = BDB034255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.006 -1.405 1.097 0.00 0.00 +0.190 C ATOM 2 C LIG 1 0.325 -2.174 0.775 0.00 0.00 +0.097 C ATOM 3 C LIG 1 0.885 -2.921 2.013 0.00 0.00 +0.022 C ATOM 4 C LIG 1 -0.240 -3.526 2.846 0.00 0.00 +0.002 C ATOM 5 C LIG 1 -1.162 -2.448 3.415 0.00 0.00 +0.004 C ATOM 6 C LIG 1 -1.159 -1.151 2.601 0.00 0.00 +0.046 C ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 1.253 -1.300 0.019 0.00 0.00 -0.295 NA ATOM 8 C LIG 1 2.467 -1.994 -0.437 0.00 0.00 +0.094 C ATOM 9 C LIG 1 3.305 -1.237 0.622 0.00 0.00 +0.047 C ATOM 10 C LIG 1 2.041 -0.365 0.831 0.00 0.00 +0.094 C BRANCH 9 11 ATOM 11 C LIG 1 4.663 -0.537 0.185 0.00 0.00 -0.042 A ATOM 12 C LIG 1 4.756 0.331 -0.914 0.00 0.00 +0.006 A ATOM 13 C LIG 1 5.964 0.944 -1.287 0.00 0.00 +0.023 A ATOM 14 C LIG 1 7.156 0.725 -0.587 0.00 0.00 +0.030 A ATOM 15 C LIG 1 7.068 -0.140 0.510 0.00 0.00 +0.023 A ATOM 16 C LIG 1 5.860 -0.751 0.885 0.00 0.00 +0.006 A BRANCH 14 17 ATOM 17 N LIG 1 8.345 1.327 -0.953 0.00 0.00 -0.326 N ATOM 18 C LIG 1 8.388 2.512 -1.825 0.00 0.00 +0.133 C ATOM 19 C LIG 1 9.671 3.317 -1.556 0.00 0.00 +0.178 C ATOM 20 O LIG 1 10.882 2.581 -1.771 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 10.732 1.170 -1.559 0.00 0.00 +0.178 C ATOM 22 C LIG 1 9.652 0.801 -0.528 0.00 0.00 +0.133 C ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 2 7 BRANCH 1 23 ATOM 23 O LIG 1 -2.098 -2.229 0.642 0.00 0.00 -0.487 OA BRANCH 23 30 ATOM 24 N LIG 1 -6.740 1.257 -0.747 0.00 0.00 -0.282 N ATOM 25 C LIG 1 -6.992 -0.089 -0.944 0.00 0.00 +0.248 C ATOM 26 O LIG 1 -8.021 -0.619 -1.309 0.00 0.00 -0.270 OA ATOM 27 C LIG 1 -5.766 -0.808 -0.580 0.00 0.00 +0.042 A ATOM 28 C LIG 1 -4.846 0.119 -0.098 0.00 0.00 -0.015 A ATOM 29 C LIG 1 -3.592 -0.289 0.332 0.00 0.00 +0.051 A ATOM 30 C LIG 1 -3.277 -1.651 0.262 0.00 0.00 +0.121 A ATOM 31 C LIG 1 -4.228 -2.573 -0.227 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -5.491 -2.158 -0.654 0.00 0.00 +0.017 A ATOM 33 C LIG 1 -5.445 1.484 -0.119 0.00 0.00 +0.144 C BRANCH 24 40 ATOM 34 O LIG 1 -11.761 1.464 -1.462 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 -10.564 1.702 -1.314 0.00 0.00 +0.219 C ATOM 36 N LIG 1 -10.056 1.953 -0.067 0.00 0.00 -0.255 N ATOM 37 H LIG 1 -10.713 1.855 0.694 0.00 0.00 +0.158 HD ATOM 38 C LIG 1 -8.754 2.189 0.294 0.00 0.00 +0.240 C ATOM 39 O LIG 1 -8.433 2.245 1.482 0.00 0.00 -0.273 OA ATOM 40 C LIG 1 -7.731 2.325 -0.833 0.00 0.00 +0.163 C ATOM 41 C LIG 1 -8.359 2.537 -2.208 0.00 0.00 +0.041 C ATOM 42 C LIG 1 -9.599 1.703 -2.472 0.00 0.00 +0.098 C ENDBRANCH 24 40 ENDBRANCH 23 30 ENDBRANCH 1 23 TORSDOF 6