REMARK Name = BDB024380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.112 -0.118 -0.509 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.236 -1.595 -0.857 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.359 -1.996 -2.197 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.431 -3.350 -2.528 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.379 -4.318 -1.526 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.259 -3.935 -0.192 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.187 -2.583 0.142 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.353 -0.497 -0.527 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.103 -1.379 -0.950 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.667 0.341 -0.116 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.527 1.412 0.480 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.501 0.088 -0.031 0.00 0.00 +0.049 A ATOM 13 C LIG 1 3.517 1.004 0.355 0.00 0.00 +0.136 A ATOM 14 N LIG 1 2.172 0.858 0.209 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.722 -0.272 -0.341 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.595 -1.265 -0.759 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.975 -1.080 -0.598 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 6.498 2.546 -0.639 0.00 0.00 +0.029 C ATOM 19 C LIG 1 6.401 1.599 0.560 0.00 0.00 +0.088 C ATOM 20 N LIG 1 5.873 0.283 0.156 0.00 0.00 -0.316 N ATOM 21 C LIG 1 6.821 -0.626 -0.539 0.00 0.00 +0.201 C ATOM 22 C LIG 1 8.327 -0.392 -0.320 0.00 0.00 +0.233 C ATOM 23 O LIG 1 9.142 -1.173 -0.821 0.00 0.00 -0.274 OA ATOM 24 N LIG 1 8.731 0.717 0.412 0.00 0.00 -0.301 N ATOM 25 C LIG 1 10.134 0.863 0.751 0.00 0.00 +0.132 C ATOM 26 C LIG 1 7.764 1.409 1.248 0.00 0.00 +0.129 C ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 27 ATOM 27 N LIG 1 -3.026 0.256 0.600 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -2.678 1.146 0.977 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.408 0.429 0.141 0.00 0.00 +0.089 C BRANCH 29 30 ATOM 30 C LIG 1 -5.352 0.808 1.307 0.00 0.00 +0.030 C ATOM 31 C LIG 1 -5.409 -0.281 2.387 0.00 0.00 +0.014 C BRANCH 30 32 ATOM 32 C LIG 1 -6.746 1.136 0.785 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -7.237 2.446 0.888 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -8.511 2.771 0.411 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -9.311 1.788 -0.178 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -8.831 0.480 -0.287 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -7.558 0.157 0.190 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -10.617 2.119 -0.667 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -11.674 2.385 -1.065 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 9