REMARK Name = BDB016076 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.415 2.357 -0.191 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.525 1.368 0.020 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.778 1.693 0.160 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -1.209 3.015 0.057 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -0.216 3.952 -0.164 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.092 3.658 -0.287 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.596 0.261 -0.453 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.248 0.634 -0.326 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.839 1.984 -0.327 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.844 2.959 -0.461 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.190 2.607 -0.583 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.564 1.264 -0.577 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 4.615 -4.657 -1.131 0.00 0.00 +0.172 C ATOM 14 N LIG 1 4.980 -3.311 -0.765 0.00 0.00 -0.274 N ATOM 15 N LIG 1 6.175 -3.083 -0.193 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.182 -1.760 -0.005 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.992 -1.136 -0.449 0.00 0.00 +0.020 A ATOM 18 C LIG 1 4.235 -2.181 -0.939 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.588 3.436 0.184 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -3.277 4.159 -0.768 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.530 4.351 -0.262 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.629 5.036 -0.899 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.698 3.829 0.966 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.516 3.269 1.235 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.708 0.648 0.303 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.405 0.869 1.013 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.139 -0.671 0.598 0.00 0.00 +0.137 C BRANCH 27 28 ATOM 28 C LIG 1 -2.283 -1.667 0.939 0.00 0.00 +0.084 C ATOM 29 C LIG 1 -1.664 -2.974 1.473 0.00 0.00 +0.051 C ATOM 30 C LIG 1 -2.562 -4.172 1.183 0.00 0.00 +0.084 C ATOM 31 N LIG 1 -2.817 -4.370 -0.242 0.00 0.00 -0.316 NA ATOM 32 H LIG 1 -2.183 -5.069 -0.629 0.00 0.00 +0.122 HD ATOM 33 C LIG 1 -2.752 -3.150 -1.049 0.00 0.00 +0.084 C ATOM 34 C LIG 1 -3.207 -1.925 -0.268 0.00 0.00 +0.051 C BRANCH 28 35 ATOM 35 O LIG 1 -3.064 -1.062 1.994 0.00 0.00 -0.387 OA ATOM 36 H LIG 1 -3.830 -1.639 2.161 0.00 0.00 +0.210 HD ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7