REMARK Name = BDB016087 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.784 2.360 -0.150 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.656 1.646 0.021 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.504 2.303 0.218 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.549 3.696 0.274 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.665 4.334 0.080 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.835 3.702 -0.143 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.254 -0.535 -0.405 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.076 0.205 -0.218 0.00 0.00 +0.020 A ATOM 9 C LIG 1 3.039 1.609 -0.354 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.242 2.253 -0.690 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.423 1.532 -0.886 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.428 0.144 -0.746 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 3.212 -5.134 1.150 0.00 0.00 +0.172 C ATOM 14 N LIG 1 3.783 -4.006 0.455 0.00 0.00 -0.274 N ATOM 15 N LIG 1 4.755 -4.209 -0.452 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 5.047 -2.976 -0.876 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.260 -1.980 -0.252 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.450 -2.692 0.610 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -1.756 4.459 0.532 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -2.096 5.643 -0.091 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -3.300 6.018 0.433 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -4.068 7.193 0.098 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -3.774 5.160 1.352 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -2.830 4.217 1.419 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.679 1.539 0.403 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -2.412 1.919 -0.193 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.508 0.097 0.204 0.00 0.00 +0.104 C BRANCH 27 28 ATOM 28 C LIG 1 -2.829 -0.620 0.489 0.00 0.00 +0.037 C BRANCH 28 29 ATOM 29 C LIG 1 -2.841 -2.130 0.171 0.00 0.00 +0.055 C ATOM 30 N LIG 1 -1.749 -2.847 0.839 0.00 0.00 -0.313 NA ATOM 31 H LIG 1 -0.865 -2.593 0.397 0.00 0.00 +0.122 HD ATOM 32 C LIG 1 -1.909 -4.304 0.737 0.00 0.00 +0.081 C ATOM 33 C LIG 1 -2.728 -4.779 -0.468 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -2.508 -3.876 -1.674 0.00 0.00 +0.003 C ATOM 35 C LIG 1 -2.822 -2.412 -1.344 0.00 0.00 +0.019 C ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7