REMARK Name = BDB035352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.582 0.284 0.457 0.00 0.00 +0.240 C ATOM 2 N LIG 1 0.472 -0.108 1.270 0.00 0.00 -0.268 N ATOM 3 C LIG 1 1.805 0.201 1.101 0.00 0.00 +0.056 A ATOM 4 C LIG 1 2.417 0.915 0.020 0.00 0.00 +0.034 A ATOM 5 C LIG 1 3.750 1.105 -0.006 0.00 0.00 +0.023 A ATOM 6 C LIG 1 4.599 0.604 1.135 0.00 0.00 +0.255 A ATOM 7 N LIG 1 3.927 -0.096 2.147 0.00 0.00 -0.313 N ATOM 8 C LIG 1 4.691 -0.616 3.269 0.00 0.00 +0.152 C ATOM 9 O LIG 1 5.809 0.821 1.147 0.00 0.00 -0.267 OA ATOM 10 C LIG 1 2.559 -0.272 2.099 0.00 0.00 +0.045 A ATOM 11 C LIG 1 1.743 -0.992 3.118 0.00 0.00 +0.075 C ATOM 12 C LIG 1 0.328 -0.829 2.552 0.00 0.00 +0.120 C ATOM 13 O LIG 1 -0.462 1.026 -0.526 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -1.976 -0.317 0.774 0.00 0.00 +0.162 C BRANCH 14 15 ATOM 15 C LIG 1 -2.137 -1.713 0.124 0.00 0.00 +0.018 C ATOM 16 C LIG 1 -2.144 -1.685 -1.417 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -2.310 -3.087 -2.004 0.00 0.00 +0.000 C ATOM 18 C LIG 1 -3.560 -3.776 -1.469 0.00 0.00 +0.000 C ATOM 19 C LIG 1 -3.572 -3.808 0.056 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -3.405 -2.411 0.650 0.00 0.00 +0.006 C ENDBRANCH 14 15 BRANCH 14 22 ATOM 21 C LIG 1 -3.520 1.563 1.176 0.00 0.00 +0.230 C ATOM 22 N LIG 1 -2.982 0.638 0.303 0.00 0.00 -0.302 N ATOM 23 H LIG 1 -2.835 0.954 -0.649 0.00 0.00 +0.150 HD ATOM 24 O LIG 1 -3.385 1.466 2.397 0.00 0.00 -0.274 OA BRANCH 21 25 ATOM 25 C LIG 1 -4.394 2.667 0.520 0.00 0.00 +0.137 C ATOM 26 C LIG 1 -3.638 3.432 -0.563 0.00 0.00 +0.034 C BRANCH 25 28 ATOM 27 C LIG 1 -6.172 4.093 1.374 0.00 0.00 +0.101 C ATOM 28 N LIG 1 -4.808 3.626 1.570 0.00 0.00 -0.309 NA ATOM 29 H LIG 1 -4.742 3.144 2.474 0.00 0.00 +0.122 HD ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 14 22 ENDBRANCH 1 14 BRANCH 5 30 ATOM 30 C LIG 1 4.449 1.848 -1.111 0.00 0.00 +0.075 C BRANCH 30 31 ATOM 31 C LIG 1 4.964 0.933 -2.201 0.00 0.00 -0.043 A ATOM 32 C LIG 1 6.263 0.405 -2.131 0.00 0.00 +0.007 A ATOM 33 C LIG 1 6.731 -0.454 -3.127 0.00 0.00 +0.038 A ATOM 34 C LIG 1 5.900 -0.788 -4.189 0.00 0.00 +0.123 A ATOM 35 F LIG 1 6.349 -1.614 -5.144 0.00 0.00 -0.205 F ATOM 36 C LIG 1 4.609 -0.281 -4.275 0.00 0.00 +0.038 A ATOM 37 C LIG 1 4.139 0.577 -3.280 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 7