REMARK Name = BDB032415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.455 1.553 0.653 0.00 0.00 +0.140 C ENDROOT BRANCH 1 5 ATOM 2 N LIG 1 -0.929 0.259 1.174 0.00 0.00 -0.271 N ATOM 3 N LIG 1 -0.559 0.331 2.465 0.00 0.00 -0.179 NA ATOM 4 C LIG 1 0.691 0.795 2.410 0.00 0.00 +0.139 A ATOM 5 C LIG 1 1.125 1.036 1.088 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.046 0.667 0.309 0.00 0.00 +0.113 A BRANCH 2 7 ATOM 7 C LIG 1 -2.256 -0.226 0.826 0.00 0.00 +0.144 C BRANCH 7 8 ATOM 8 C LIG 1 -3.312 0.871 0.975 0.00 0.00 +0.027 C BRANCH 8 13 ATOM 9 C LIG 1 -8.133 -1.774 -0.816 0.00 0.00 +0.104 C ATOM 10 N LIG 1 -6.777 -1.376 -0.435 0.00 0.00 -0.305 NA ATOM 11 C LIG 1 -6.325 -0.246 -1.257 0.00 0.00 +0.084 C ATOM 12 C LIG 1 -4.884 0.139 -0.910 0.00 0.00 +0.019 C ATOM 13 C LIG 1 -4.745 0.470 0.582 0.00 0.00 -0.007 C ATOM 14 C LIG 1 -5.296 -0.690 1.421 0.00 0.00 +0.019 C ATOM 15 C LIG 1 -6.723 -1.049 0.996 0.00 0.00 +0.084 C ENDBRANCH 8 13 ENDBRANCH 7 8 ENDBRANCH 2 7 ENDBRANCH 1 5 BRANCH 1 16 ATOM 16 N LIG 1 3.484 0.523 0.558 0.00 0.00 -0.339 N ATOM 17 H LIG 1 3.099 -0.331 0.164 0.00 0.00 +0.146 HD BRANCH 16 18 ATOM 18 C LIG 1 4.753 0.809 0.017 0.00 0.00 +0.035 A ATOM 19 C LIG 1 5.672 -0.257 -0.245 0.00 0.00 +0.008 A ATOM 20 C LIG 1 6.956 0.025 -0.778 0.00 0.00 +0.023 A ATOM 21 C LIG 1 7.823 -1.064 -1.054 0.00 0.00 +0.124 A ATOM 22 N LIG 1 7.499 -2.346 -0.819 0.00 0.00 -0.240 NA ATOM 23 C LIG 1 6.293 -2.592 -0.284 0.00 0.00 +0.113 A ATOM 24 C LIG 1 7.317 1.371 -0.999 0.00 0.00 +0.012 A ATOM 25 C LIG 1 6.450 2.411 -0.685 0.00 0.00 +0.003 A ATOM 26 C LIG 1 5.368 -1.608 0.013 0.00 0.00 +0.030 A ATOM 27 C LIG 1 5.189 2.130 -0.169 0.00 0.00 +0.023 A BRANCH 21 28 ATOM 28 N LIG 1 9.106 -0.861 -1.590 0.00 0.00 -0.343 N ATOM 29 H LIG 1 9.646 -0.290 -0.948 0.00 0.00 +0.144 HD ATOM 30 H LIG 1 9.025 -0.374 -2.476 0.00 0.00 +0.144 HD ENDBRANCH 21 28 ENDBRANCH 16 18 ENDBRANCH 1 16 TORSDOF 7