REMARK Name = BDB010413 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.472 -1.575 0.006 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.240 -1.003 0.331 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.343 -1.296 1.558 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.578 -0.742 1.690 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.794 -0.125 0.555 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.209 -2.073 2.503 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 1.389 -2.568 2.116 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.682 -0.167 -0.271 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.019 -2.371 0.946 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 2.067 -3.436 3.104 0.00 0.00 +0.220 A ATOM 11 N LIG 1 1.467 -3.683 4.281 0.00 0.00 -0.269 N ATOM 12 H LIG 1 0.574 -3.339 4.593 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 2.287 -4.482 4.975 0.00 0.00 +0.440 A ATOM 14 O LIG 1 2.083 -4.920 6.096 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 3.402 -4.728 4.214 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 3.217 -4.016 2.983 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 2.113 -1.404 -1.206 0.00 0.00 -0.324 N ATOM 18 H LIG 1 1.910 -0.530 -1.662 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 3.575 -3.396 -1.474 0.00 0.00 +0.028 C ATOM 20 C LIG 1 3.484 -1.871 -1.451 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 4.521 -1.265 -0.505 0.00 0.00 +0.009 C ATOM 22 C LIG 1 6.006 -1.341 -0.963 0.00 0.00 +0.005 C ATOM 23 C LIG 1 6.198 0.049 -0.323 0.00 0.00 +0.001 C ATOM 24 C LIG 1 4.691 0.280 -0.550 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 N LIG 1 -2.961 0.473 0.186 0.00 0.00 -0.298 N ATOM 26 C LIG 1 -3.540 1.338 1.229 0.00 0.00 +0.132 C BRANCH 25 27 ATOM 27 C LIG 1 -3.920 -0.432 -0.534 0.00 0.00 +0.104 C ATOM 28 C LIG 1 -4.284 -1.747 0.230 0.00 0.00 +0.135 C ATOM 29 C LIG 1 -5.594 -2.334 -0.290 0.00 0.00 +0.033 C ATOM 30 C LIG 1 -6.777 -1.379 -0.110 0.00 0.00 +0.003 C ATOM 31 C LIG 1 -6.398 0.100 -0.211 0.00 0.00 +0.002 C ATOM 32 C LIG 1 -5.157 0.321 -1.069 0.00 0.00 +0.025 C BRANCH 28 33 ATOM 33 O LIG 1 -4.412 -1.571 1.641 0.00 0.00 -0.390 OA ATOM 34 H LIG 1 -3.515 -1.316 1.950 0.00 0.00 +0.210 HD ENDBRANCH 28 33 ENDBRANCH 25 27 ENDBRANCH 5 25 BRANCH 8 35 ATOM 35 C LIG 1 -0.581 0.504 -1.554 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -0.049 1.958 -1.551 0.00 0.00 +0.009 C ATOM 37 C LIG 1 1.413 2.079 -1.100 0.00 0.00 +0.005 C ATOM 38 C LIG 1 1.917 3.523 -1.151 0.00 0.00 +0.003 C ATOM 39 C LIG 1 1.017 4.475 -0.358 0.00 0.00 -0.014 C ATOM 40 C LIG 1 1.514 5.914 -0.477 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -0.436 4.363 -0.833 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -0.937 2.922 -0.751 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 9