REMARK Name = BDB041377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.029 -1.733 -0.372 0.00 0.00 -0.039 A ATOM 2 C LIG 1 1.442 -1.907 -1.706 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.517 -1.935 -2.777 0.00 0.00 -0.010 A ATOM 4 C LIG 1 -0.842 -1.784 -2.486 0.00 0.00 +0.024 A ATOM 5 S LIG 1 -1.784 -1.855 -3.937 0.00 0.00 -0.096 S ATOM 6 C LIG 1 -0.413 -2.075 -4.921 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -1.304 -1.602 -1.158 0.00 0.00 -0.019 A ATOM 8 C LIG 1 0.746 -2.099 -4.185 0.00 0.00 +0.016 A ATOM 9 C LIG 1 -0.337 -1.580 -0.127 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 2.098 -1.707 0.722 0.00 0.00 +0.060 C BRANCH 10 23 ATOM 11 C LIG 1 5.119 -1.826 0.419 0.00 0.00 +0.046 C ATOM 12 C LIG 1 4.386 -0.520 0.511 0.00 0.00 -0.023 A ATOM 13 C LIG 1 5.080 0.686 0.452 0.00 0.00 +0.068 A ATOM 14 N LIG 1 6.480 0.892 0.332 0.00 0.00 -0.262 N ATOM 15 H LIG 1 6.969 0.371 1.058 0.00 0.00 +0.168 HD ATOM 16 N LIG 1 6.696 2.316 0.428 0.00 0.00 -0.161 NA ATOM 17 H LIG 1 7.221 2.617 -0.403 0.00 0.00 +0.168 HD ATOM 18 N LIG 1 5.404 2.948 0.386 0.00 0.00 -0.252 N ATOM 19 C LIG 1 5.191 4.141 1.193 0.00 0.00 +0.151 C ATOM 20 C LIG 1 4.441 1.932 0.493 0.00 0.00 +0.068 A ATOM 21 C LIG 1 3.072 2.016 0.617 0.00 0.00 +0.026 A ATOM 22 C LIG 1 2.344 0.826 0.692 0.00 0.00 +0.006 A ATOM 23 C LIG 1 2.975 -0.447 0.633 0.00 0.00 -0.035 A ENDBRANCH 10 23 BRANCH 10 24 ATOM 24 C LIG 1 1.628 -1.862 2.180 0.00 0.00 +0.133 C BRANCH 24 25 ATOM 25 C LIG 1 1.090 -3.242 2.453 0.00 0.00 +0.306 C ATOM 26 O LIG 1 -0.101 -3.510 2.511 0.00 0.00 -0.251 OA BRANCH 25 27 ATOM 27 O LIG 1 2.051 -4.172 2.647 0.00 0.00 -0.481 OA ATOM 28 H LIG 1 2.963 -3.829 2.622 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 10 24 ENDBRANCH 1 10 BRANCH 7 29 ATOM 29 C LIG 1 -2.769 -1.428 -0.796 0.00 0.00 +0.121 C BRANCH 29 30 ATOM 30 N LIG 1 -3.318 -0.119 -1.201 0.00 0.00 -0.289 NA ATOM 31 C LIG 1 -2.667 0.992 -0.478 0.00 0.00 +0.129 C ATOM 32 C LIG 1 -3.327 2.393 -0.596 0.00 0.00 +0.184 C ATOM 33 C LIG 1 -3.374 2.896 -2.038 0.00 0.00 +0.053 C ATOM 34 O LIG 1 -4.630 2.596 -0.010 0.00 0.00 -0.486 OA ATOM 35 C LIG 1 -5.147 1.599 0.761 0.00 0.00 +0.144 A ATOM 36 C LIG 1 -5.268 0.271 0.341 0.00 0.00 +0.100 A ATOM 37 N LIG 1 -5.786 -0.710 1.128 0.00 0.00 -0.213 NA ATOM 38 C LIG 1 -6.224 -0.321 2.335 0.00 0.00 +0.213 A ATOM 39 C LIG 1 -6.191 0.967 2.827 0.00 0.00 +0.070 A ATOM 40 C LIG 1 -5.644 1.951 2.012 0.00 0.00 +0.053 A ATOM 41 C LIG 1 -4.785 -0.113 -1.039 0.00 0.00 +0.144 C BRANCH 38 42 ATOM 42 O LIG 1 -6.734 -1.328 3.085 0.00 0.00 -0.492 OA ATOM 43 H LIG 1 -6.604 -2.074 2.472 0.00 0.00 +0.294 HD ENDBRANCH 38 42 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 8