REMARK Name = BDB009145 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.927 0.543 -0.535 0.00 0.00 -0.044 A ATOM 2 C LIG 1 -0.552 -0.656 0.097 0.00 0.00 +0.012 A ATOM 3 C LIG 1 0.791 -1.063 0.183 0.00 0.00 -0.018 A ATOM 4 C LIG 1 1.765 -0.229 -0.388 0.00 0.00 +0.008 A ATOM 5 C LIG 1 1.411 0.967 -1.015 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.074 1.351 -1.088 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 1.165 -2.324 0.852 0.00 0.00 -0.017 A ATOM 8 C LIG 1 2.207 -2.362 1.797 0.00 0.00 +0.021 A ATOM 9 C LIG 1 2.568 -3.560 2.430 0.00 0.00 +0.037 A ATOM 10 C LIG 1 1.865 -4.734 2.146 0.00 0.00 +0.013 A ATOM 11 C LIG 1 0.829 -4.717 1.214 0.00 0.00 +0.001 A ATOM 12 C LIG 1 0.488 -3.525 0.571 0.00 0.00 +0.008 A BRANCH 9 13 ATOM 13 C LIG 1 3.677 -3.623 3.424 0.00 0.00 +0.244 C ATOM 14 N LIG 1 4.673 -2.684 3.285 0.00 0.00 -0.310 N ATOM 15 H LIG 1 4.766 -2.179 2.410 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 3.693 -4.499 4.282 0.00 0.00 -0.270 OA BRANCH 14 17 ATOM 17 C LIG 1 5.895 -2.771 4.062 0.00 0.00 +0.120 C BRANCH 17 18 ATOM 18 C LIG 1 6.779 -1.530 3.846 0.00 0.00 +0.102 C BRANCH 18 19 ATOM 19 N LIG 1 6.940 -1.164 2.417 0.00 0.00 -0.307 NA ATOM 20 C LIG 1 7.753 -2.152 1.700 0.00 0.00 +0.104 C ATOM 21 C LIG 1 7.569 0.158 2.313 0.00 0.00 +0.104 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 9 13 ENDBRANCH 3 7 BRANCH 1 23 ATOM 22 C LIG 1 -2.657 2.209 0.195 0.00 0.00 +0.013 C ATOM 23 C LIG 1 -2.399 0.926 -0.602 0.00 0.00 +0.022 C BRANCH 23 24 ATOM 24 C LIG 1 -2.873 1.042 -2.063 0.00 0.00 +0.065 C BRANCH 24 25 ATOM 25 C LIG 1 -4.395 1.022 -2.163 0.00 0.00 +0.066 A ATOM 26 C LIG 1 -5.135 2.249 -2.594 0.00 0.00 -0.016 A ATOM 27 C LIG 1 -4.412 3.536 -2.876 0.00 0.00 +0.037 C ATOM 28 C LIG 1 -5.342 4.751 -2.955 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -6.595 4.436 -3.761 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -7.364 3.266 -3.143 0.00 0.00 +0.041 C ATOM 31 C LIG 1 -6.471 2.140 -2.700 0.00 0.00 +0.023 A ATOM 32 C LIG 1 -7.144 0.858 -2.372 0.00 0.00 +0.268 A ATOM 33 O LIG 1 -8.361 0.727 -2.452 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -6.326 -0.160 -1.967 0.00 0.00 -0.243 N ATOM 35 H LIG 1 -6.763 -1.047 -1.742 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 -4.971 -0.106 -1.871 0.00 0.00 -0.176 NA ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 8