REMARK Name = BDB004605 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.960 -2.226 0.016 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.159 -1.624 -0.563 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.400 -2.286 -0.593 0.00 0.00 -0.029 A ATOM 4 C LIG 1 1.511 -3.558 -0.018 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.397 -4.169 0.552 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.833 -3.508 0.565 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.570 -0.334 -0.298 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -2.234 -1.622 0.076 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -2.959 -2.175 0.514 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -1.806 0.545 -0.676 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 -6.772 0.705 0.091 0.00 0.00 +0.029 A ATOM 12 C LIG 1 -6.366 -0.580 -0.317 0.00 0.00 +0.024 A ATOM 13 C LIG 1 -5.016 -0.935 -0.455 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -4.018 -0.005 -0.169 0.00 0.00 +0.037 A ATOM 15 C LIG 1 -4.383 1.279 0.231 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -5.737 1.617 0.367 0.00 0.00 +0.024 A BRANCH 11 18 ATOM 17 C LIG 1 -8.492 2.432 0.493 0.00 0.00 +0.129 C ATOM 18 N LIG 1 -8.123 1.038 0.247 0.00 0.00 -0.336 N ATOM 19 C LIG 1 -9.129 0.237 -0.452 0.00 0.00 +0.129 C ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 2.611 -1.609 -1.193 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 3.353 -0.958 -0.121 0.00 0.00 -0.324 N ATOM 22 H LIG 1 2.745 -0.328 0.396 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 4.505 -0.254 -0.531 0.00 0.00 +0.130 A ATOM 24 C LIG 1 5.276 0.432 0.431 0.00 0.00 +0.041 A ATOM 25 C LIG 1 6.408 1.124 -0.043 0.00 0.00 +0.088 A ATOM 26 C LIG 1 7.185 1.827 0.903 0.00 0.00 +0.063 A ATOM 27 C LIG 1 6.851 1.829 2.272 0.00 0.00 +0.015 A ATOM 28 C LIG 1 5.745 1.132 2.728 0.00 0.00 +0.002 A ATOM 29 N LIG 1 6.723 1.097 -1.358 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 5.936 0.390 -2.177 0.00 0.00 +0.223 A ATOM 31 C LIG 1 4.965 0.438 1.815 0.00 0.00 +0.013 A ATOM 32 N LIG 1 4.846 -0.289 -1.828 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 8.408 2.611 0.539 0.00 0.00 +0.244 C ATOM 34 O LIG 1 9.089 3.172 1.392 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 8.762 2.694 -0.774 0.00 0.00 -0.325 N ATOM 36 H LIG 1 9.609 3.183 -1.024 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 8.239 2.190 -1.486 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 7