REMARK Name = BDB056703 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.374 0.069 -0.951 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.370 -0.842 -0.625 0.00 0.00 -0.268 N ATOM 3 C LIG 1 2.752 -0.620 -0.756 0.00 0.00 +0.058 A ATOM 4 C LIG 1 3.478 -1.714 -0.318 0.00 0.00 +0.070 A ATOM 5 N LIG 1 4.823 -1.797 -0.312 0.00 0.00 -0.251 NA ATOM 6 CA LIG 1 5.496 -0.702 -0.780 0.00 0.00 +0.070 A ATOM 7 C LIG 1 4.844 0.457 -1.250 0.00 0.00 -0.018 A ATOM 8 C LIG 1 2.573 -2.814 0.190 0.00 0.00 +0.025 C ATOM 9 C LIG 1 2.782 -3.034 1.691 0.00 0.00 +0.019 C ATOM 10 C LIG 1 2.792 -4.114 -0.585 0.00 0.00 +0.019 C ATOM 11 C LIG 1 3.436 0.482 -1.230 0.00 0.00 +0.031 A ATOM 12 C LIG 1 1.177 -2.208 -0.099 0.00 0.00 +0.126 C ATOM 13 O LIG 1 0.603 1.192 -1.408 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -1.082 -0.383 -0.716 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -2.355 -0.428 3.769 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -1.589 -0.888 2.524 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -2.356 -1.905 1.787 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -2.735 -2.602 2.427 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -3.456 -1.322 0.993 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -3.203 0.120 0.451 0.00 0.00 +0.085 C ATOM 21 N LIG 1 -1.757 0.450 0.307 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -1.133 0.325 1.647 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -4.049 0.403 -0.828 0.00 0.00 +0.105 C BRANCH 23 24 ATOM 24 N LIG 1 -5.505 0.277 -0.601 0.00 0.00 -0.291 NA ATOM 25 C LIG 1 -6.179 -0.491 -1.687 0.00 0.00 +0.080 C ATOM 26 C LIG 1 -6.029 0.113 -3.095 0.00 0.00 +0.026 C ATOM 27 C LIG 1 -7.676 -0.668 -1.353 0.00 0.00 +0.178 C ATOM 28 O LIG 1 -8.327 0.599 -1.211 0.00 0.00 -0.377 OA ATOM 29 C LIG 1 -7.721 1.341 -0.147 0.00 0.00 +0.178 C ATOM 30 C LIG 1 -6.205 1.575 -0.382 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -5.661 2.378 0.804 0.00 0.00 +0.026 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 32 ATOM 32 C LIG 1 5.589 1.668 -1.766 0.00 0.00 +0.072 C BRANCH 32 33 ATOM 33 C LIG 1 6.251 2.505 -0.694 0.00 0.00 -0.043 A ATOM 34 C LIG 1 7.630 2.770 -0.752 0.00 0.00 +0.007 A ATOM 35 C LIG 1 8.242 3.552 0.228 0.00 0.00 +0.038 A ATOM 36 C LIG 1 7.479 4.079 1.262 0.00 0.00 +0.123 A ATOM 37 F LIG 1 8.068 4.830 2.201 0.00 0.00 -0.205 F ATOM 38 C LIG 1 6.112 3.842 1.333 0.00 0.00 +0.038 A ATOM 39 C LIG 1 5.497 3.060 0.354 0.00 0.00 +0.007 A ENDBRANCH 32 33 ENDBRANCH 7 32 BRANCH 6 40 ATOM 40 C LIG 1 7.006 -0.816 -0.742 0.00 0.00 +0.211 C BRANCH 40 41 ATOM 41 O LIG 1 7.409 -2.152 -0.428 0.00 0.00 -0.389 OA ATOM 42 H LIG 1 6.573 -2.611 -0.202 0.00 0.00 +0.210 HD ENDBRANCH 40 41 ENDBRANCH 6 40 TORSDOF 8