REMARK Name = BDB036721 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.143 -0.030 1.426 0.00 0.00 +0.151 A ATOM 2 C LIG 1 0.838 -0.059 0.923 0.00 0.00 +0.034 A ATOM 3 C LIG 1 0.069 0.006 -0.317 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.331 -0.120 0.195 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -1.426 -0.224 1.707 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -2.037 -1.546 2.174 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -2.112 0.995 2.334 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -2.311 -0.190 -0.764 0.00 0.00 +0.303 C ATOM 9 N LIG 1 -3.589 -0.366 -0.319 0.00 0.00 -0.295 N ATOM 10 H LIG 1 -3.790 -0.021 0.600 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -2.050 -0.126 -1.965 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 0.022 -0.189 2.001 0.00 0.00 +0.066 A ATOM 13 N LIG 1 0.809 -0.247 3.092 0.00 0.00 -0.277 N ATOM 14 H LIG 1 0.563 -0.341 4.073 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 2.116 -0.177 2.764 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 16 ATOM 16 N LIG 1 3.231 0.063 0.630 0.00 0.00 -0.282 N ATOM 17 H LIG 1 3.079 0.175 -0.363 0.00 0.00 +0.155 HD BRANCH 16 21 ATOM 18 C LIG 1 8.073 0.396 -0.157 0.00 0.00 +0.042 A ATOM 19 C LIG 1 6.898 0.820 0.553 0.00 0.00 +0.008 A ATOM 20 C LIG 1 5.650 0.200 0.266 0.00 0.00 +0.024 A ATOM 21 C LIG 1 4.487 0.634 0.962 0.00 0.00 +0.132 A ATOM 22 N LIG 1 4.524 1.613 1.892 0.00 0.00 -0.240 NA ATOM 23 C LIG 1 5.707 2.175 2.169 0.00 0.00 +0.113 A ATOM 24 C LIG 1 5.614 -0.838 -0.691 0.00 0.00 +0.012 A ATOM 25 C LIG 1 6.756 -1.243 -1.370 0.00 0.00 +0.003 A ATOM 26 C LIG 1 6.888 1.829 1.539 0.00 0.00 +0.030 A ATOM 27 C LIG 1 7.973 -0.626 -1.107 0.00 0.00 +0.024 A BRANCH 18 29 ATOM 28 C LIG 1 10.548 0.771 -0.471 0.00 0.00 +0.241 C ATOM 29 N LIG 1 9.324 1.017 0.121 0.00 0.00 -0.281 N ATOM 30 H LIG 1 9.316 1.726 0.834 0.00 0.00 +0.155 HD ATOM 31 O LIG 1 10.801 -0.023 -1.367 0.00 0.00 -0.271 OA BRANCH 28 33 ATOM 32 C LIG 1 12.882 1.547 -0.339 0.00 0.00 +0.013 C ATOM 33 C LIG 1 11.624 1.626 0.115 0.00 0.00 +0.060 C ENDBRANCH 28 33 ENDBRANCH 18 29 ENDBRANCH 16 21 ENDBRANCH 1 16 BRANCH 9 34 ATOM 34 C LIG 1 -4.723 -0.406 -1.250 0.00 0.00 +0.092 C BRANCH 34 35 ATOM 35 C LIG 1 -5.936 -1.150 -0.625 0.00 0.00 +0.015 C ATOM 36 C LIG 1 -6.552 -0.442 0.593 0.00 0.00 +0.033 C ATOM 37 C LIG 1 -7.686 -1.275 1.181 0.00 0.00 +0.160 C ATOM 38 O LIG 1 -7.222 -2.578 1.529 0.00 0.00 -0.380 OA ATOM 39 C LIG 1 -6.770 -3.304 0.386 0.00 0.00 +0.160 C ATOM 40 C LIG 1 -5.581 -2.602 -0.257 0.00 0.00 +0.033 C ENDBRANCH 34 35 BRANCH 34 41 ATOM 41 C LIG 1 -5.065 1.034 -1.745 0.00 0.00 +0.106 C BRANCH 41 42 ATOM 42 N LIG 1 -6.244 1.137 -2.629 0.00 0.00 -0.307 NA ATOM 43 C LIG 1 -6.589 2.547 -2.836 0.00 0.00 +0.104 C ATOM 44 C LIG 1 -5.991 0.501 -3.927 0.00 0.00 +0.104 C ENDBRANCH 41 42 ENDBRANCH 34 41 ENDBRANCH 9 34 TORSDOF 8