REMARK Name = BDB024203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.459 1.114 -2.271 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.816 2.204 -1.267 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.701 2.012 0.121 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.040 3.031 1.013 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.507 4.252 0.532 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -3.645 4.453 -0.839 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -3.307 3.435 -1.732 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.222 0.240 -1.906 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.150 0.985 -1.436 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.270 1.986 -1.368 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.226 -0.973 -2.110 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.078 0.469 -1.009 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.310 -0.852 -1.012 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 2.519 -1.289 -0.581 0.00 0.00 +0.121 A ATOM 15 C LIG 1 3.540 -0.463 -0.126 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.274 0.907 -0.126 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.035 1.378 -0.569 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 4.805 -1.009 0.329 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.004 -0.326 0.374 0.00 0.00 +0.117 A ATOM 20 N LIG 1 6.939 -1.207 0.849 0.00 0.00 -0.268 N ATOM 21 N LIG 1 6.428 -2.421 1.118 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 5.138 -2.301 0.800 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 8.374 -0.928 1.067 0.00 0.00 +0.107 C ATOM 24 C LIG 1 8.671 0.365 1.863 0.00 0.00 +0.027 C ATOM 25 C LIG 1 9.860 0.586 0.901 0.00 0.00 +0.004 C ATOM 26 C LIG 1 9.097 -0.273 -0.133 0.00 0.00 +0.027 C ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 27 ATOM 27 N LIG 1 -3.606 0.292 -2.734 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -3.207 -0.528 -3.201 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.561 -0.162 -1.714 0.00 0.00 +0.089 C BRANCH 29 31 ATOM 30 C LIG 1 -4.026 -2.662 -1.582 0.00 0.00 +0.014 C ATOM 31 C LIG 1 -4.125 -1.342 -0.808 0.00 0.00 +0.030 C BRANCH 31 32 ATOM 32 C LIG 1 -5.066 -1.504 0.383 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -6.446 -1.692 0.214 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -7.287 -1.836 1.321 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -6.759 -1.798 2.614 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -5.385 -1.618 2.794 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -4.545 -1.474 1.686 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -7.621 -1.943 3.749 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -8.318 -2.058 4.670 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 10