REMARK Name = BDB017605 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.515 -0.332 -1.262 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -2.226 -1.261 -0.488 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -3.472 -0.926 0.048 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -4.056 0.326 -0.190 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -5.386 0.615 0.396 0.00 0.00 +0.045 A ATOM 6 N LIG 1 -5.995 1.835 0.119 0.00 0.00 -0.343 N ATOM 7 H LIG 1 -5.894 2.121 -0.851 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 -7.261 2.216 0.734 0.00 0.00 +0.102 C ATOM 9 C LIG 1 -8.130 0.985 0.958 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -7.362 -0.090 1.734 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.984 -0.311 1.173 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -5.337 -1.621 1.454 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -5.861 -2.459 2.182 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -3.338 1.252 -0.959 0.00 0.00 +0.012 A ATOM 15 N LIG 1 -4.134 -1.858 0.853 0.00 0.00 -0.322 N ATOM 16 H LIG 1 -3.710 -2.753 1.053 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -2.086 0.925 -1.495 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 -0.171 -0.690 -1.861 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 N LIG 1 3.664 -0.674 -0.379 0.00 0.00 -0.327 N ATOM 20 C LIG 1 2.620 0.347 -0.178 0.00 0.00 +0.120 C ATOM 21 C LIG 1 1.243 -0.298 0.112 0.00 0.00 +0.103 C ATOM 22 N LIG 1 0.764 -1.278 -0.890 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 1.899 -1.913 -1.596 0.00 0.00 +0.103 C ATOM 24 C LIG 1 3.194 -2.017 -0.759 0.00 0.00 +0.120 C BRANCH 19 30 ATOM 25 C LIG 1 7.318 2.593 0.331 0.00 0.00 +0.045 C ATOM 26 C LIG 1 6.843 1.165 0.323 0.00 0.00 -0.031 A ATOM 27 C LIG 1 7.704 0.102 0.630 0.00 0.00 +0.055 A ATOM 28 C LIG 1 7.217 -1.206 0.599 0.00 0.00 +0.021 A ATOM 29 C LIG 1 5.880 -1.459 0.265 0.00 0.00 +0.024 A ATOM 30 C LIG 1 4.984 -0.426 -0.044 0.00 0.00 +0.030 A ATOM 31 C LIG 1 5.502 0.881 -0.009 0.00 0.00 +0.027 A BRANCH 27 32 ATOM 32 C LIG 1 9.081 0.322 0.974 0.00 0.00 +0.099 C ATOM 33 N LIG 1 10.194 0.498 1.252 0.00 0.00 -0.191 NA ENDBRANCH 27 32 ENDBRANCH 19 30 ENDBRANCH 18 22 ENDBRANCH 1 18 TORSDOF 4