REMARK Name = BDB001141 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.941 0.597 -0.671 0.00 0.00 +0.137 A ATOM 2 C LIG 1 -2.309 1.599 -1.427 0.00 0.00 +0.059 A ATOM 3 C LIG 1 -0.940 1.706 -1.286 0.00 0.00 +0.145 A ATOM 4 N LIG 1 -0.496 2.720 -2.087 0.00 0.00 -0.346 N ATOM 5 H LIG 1 0.475 2.992 -2.157 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 -1.559 3.279 -2.751 0.00 0.00 +0.085 A ATOM 7 N LIG 1 -0.153 0.962 -0.508 0.00 0.00 -0.196 NA ATOM 8 C LIG 1 -0.816 0.031 0.186 0.00 0.00 +0.223 A ATOM 9 C LIG 1 -2.698 2.604 -2.361 0.00 0.00 +0.032 A ATOM 10 N LIG 1 -2.151 -0.167 0.129 0.00 0.00 -0.198 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -4.329 0.418 -0.746 0.00 0.00 -0.298 N ATOM 12 H LIG 1 -4.780 1.088 -1.376 0.00 0.00 +0.154 HD BRANCH 11 14 ATOM 13 C LIG 1 -6.641 -0.347 -0.389 0.00 0.00 +0.093 A ATOM 14 C LIG 1 -5.242 -0.489 -0.167 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -4.811 -1.543 0.659 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -5.710 -2.436 1.246 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -7.071 -2.293 1.020 0.00 0.00 +0.039 A ATOM 18 C LIG 1 -7.525 -1.257 0.210 0.00 0.00 +0.137 A ATOM 19 F LIG 1 -8.852 -1.169 0.019 0.00 0.00 -0.205 F BRANCH 13 23 ATOM 20 C LIG 1 -9.107 1.935 -2.206 0.00 0.00 +0.128 C ATOM 21 N LIG 1 -8.524 0.950 -1.330 0.00 0.00 -0.314 N ATOM 22 H LIG 1 -9.143 0.279 -0.887 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 -7.160 0.762 -1.261 0.00 0.00 +0.248 C ATOM 24 O LIG 1 -6.378 1.476 -1.889 0.00 0.00 -0.270 OA ENDBRANCH 13 23 ENDBRANCH 11 14 ENDBRANCH 1 11 BRANCH 8 25 ATOM 25 N LIG 1 -0.143 -0.827 1.049 0.00 0.00 -0.281 N ATOM 26 H LIG 1 -0.790 -1.458 1.502 0.00 0.00 +0.155 HD BRANCH 25 27 ATOM 27 C LIG 1 1.200 -0.998 1.433 0.00 0.00 +0.078 A ATOM 28 C LIG 1 1.489 -2.016 2.388 0.00 0.00 +0.142 A ATOM 29 C LIG 1 2.800 -2.242 2.820 0.00 0.00 +0.053 A ATOM 30 C LIG 1 3.814 -1.457 2.290 0.00 0.00 -0.021 A ATOM 31 C LIG 1 5.265 -1.502 2.643 0.00 0.00 +0.056 C ATOM 32 C LIG 1 5.867 -0.521 1.632 0.00 0.00 +0.118 C ATOM 33 N LIG 1 4.748 0.184 0.981 0.00 0.00 -0.270 N ATOM 34 C LIG 1 4.870 1.222 0.068 0.00 0.00 +0.234 C ATOM 35 O LIG 1 3.928 1.746 -0.532 0.00 0.00 -0.274 OA ATOM 36 C LIG 1 3.550 -0.459 1.354 0.00 0.00 +0.041 A ATOM 37 C LIG 1 2.253 -0.221 0.924 0.00 0.00 +0.050 A BRANCH 28 38 ATOM 38 O LIG 1 0.390 -2.723 2.829 0.00 0.00 -0.493 OA ATOM 39 C LIG 1 0.622 -3.761 3.772 0.00 0.00 +0.277 C ENDBRANCH 28 38 BRANCH 34 40 ATOM 40 C LIG 1 6.289 1.765 -0.172 0.00 0.00 +0.180 C BRANCH 40 41 ATOM 41 N LIG 1 7.152 0.801 -0.894 0.00 0.00 -0.300 NA ATOM 42 C LIG 1 6.626 0.535 -2.238 0.00 0.00 +0.105 C ATOM 43 C LIG 1 8.511 1.336 -0.992 0.00 0.00 +0.105 C ENDBRANCH 40 41 ENDBRANCH 34 40 ENDBRANCH 25 27 ENDBRANCH 8 25 TORSDOF 8