REMARK Name = BDB034235 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.839 1.367 -0.440 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.616 1.073 0.690 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -2.856 0.485 0.511 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -3.878 0.086 1.518 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -4.909 -0.535 0.696 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -4.645 -0.405 -0.656 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -5.357 -0.691 -1.597 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.315 0.203 -0.771 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -2.583 0.494 -1.906 0.00 0.00 +0.017 A ATOM 10 C LIG 1 -1.328 1.087 -1.730 0.00 0.00 +0.046 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -6.177 -0.963 1.276 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -7.272 0.059 0.969 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -7.215 1.222 1.371 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -8.311 -0.356 0.176 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -9.013 0.340 -0.029 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.456 -1.546 -0.487 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -9.434 -1.744 -1.206 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.368 -2.576 -0.316 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.588 -2.402 0.974 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 O LIG 1 0.362 1.954 -0.154 0.00 0.00 -0.487 OA BRANCH 20 22 ATOM 21 C LIG 1 2.780 2.032 -0.524 0.00 0.00 +0.097 C ATOM 22 C LIG 1 1.372 1.963 -1.170 0.00 0.00 +0.190 C ATOM 23 C LIG 1 1.317 3.288 -1.935 0.00 0.00 +0.046 C ATOM 24 C LIG 1 2.091 4.292 -1.073 0.00 0.00 +0.005 C ATOM 25 C LIG 1 2.824 3.476 -0.008 0.00 0.00 +0.023 C BRANCH 21 28 ATOM 26 C LIG 1 4.313 -0.535 1.007 0.00 0.00 +0.047 C ATOM 27 C LIG 1 3.140 -0.316 0.013 0.00 0.00 +0.094 C ATOM 28 N LIG 1 3.017 1.062 0.551 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 4.452 1.010 0.931 0.00 0.00 +0.094 C BRANCH 26 33 ATOM 30 C LIG 1 7.731 -3.125 -0.145 0.00 0.00 +0.052 A ATOM 31 C LIG 1 7.313 -2.103 -0.996 0.00 0.00 +0.019 A ATOM 32 C LIG 1 6.235 -1.285 -0.634 0.00 0.00 +0.005 A ATOM 33 C LIG 1 5.539 -1.454 0.580 0.00 0.00 -0.042 A ATOM 34 C LIG 1 5.990 -2.497 1.414 0.00 0.00 +0.005 A ATOM 35 C LIG 1 7.066 -3.322 1.065 0.00 0.00 +0.019 A BRANCH 30 37 ATOM 36 N LIG 1 9.726 -4.645 -0.807 0.00 0.00 -0.191 NA ATOM 37 C LIG 1 8.833 -3.965 -0.510 0.00 0.00 +0.099 C ENDBRANCH 30 37 ENDBRANCH 26 33 ENDBRANCH 21 28 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 6