REMARK Name = BDB036725 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.448 2.743 -1.051 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.084 2.432 -1.011 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.860 1.341 -0.779 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -2.168 2.040 -0.966 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -2.043 3.502 -1.327 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -2.666 4.410 -0.264 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -2.579 3.805 -2.729 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -3.398 1.428 -0.881 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -3.363 0.101 -0.557 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -2.581 -0.243 -0.024 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -4.453 2.012 -1.111 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 -0.568 3.589 -1.301 0.00 0.00 +0.066 A ATOM 13 N LIG 1 0.364 4.538 -1.504 0.00 0.00 -0.277 N ATOM 14 H LIG 1 0.260 5.519 -1.745 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 1.610 4.042 -1.346 0.00 0.00 -0.158 NA ENDROOT BRANCH 9 16 ATOM 16 C LIG 1 -4.578 -0.678 -0.334 0.00 0.00 +0.119 C ATOM 17 C LIG 1 -4.921 -0.657 1.147 0.00 0.00 -0.022 A ATOM 18 C LIG 1 -4.557 -1.740 1.973 0.00 0.00 -0.028 A ATOM 19 C LIG 1 -4.854 -1.686 3.344 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -5.484 -0.568 3.892 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -5.832 0.505 3.076 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.927 -2.993 1.399 0.00 0.00 +0.119 C ATOM 23 N LIG 1 -3.347 -2.807 0.055 0.00 0.00 -0.299 NA ATOM 24 C LIG 1 -2.965 -4.100 -0.512 0.00 0.00 +0.105 C ATOM 25 C LIG 1 -5.552 0.463 1.711 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -4.340 -2.132 -0.813 0.00 0.00 +0.111 C ENDBRANCH 9 16 BRANCH 1 28 ATOM 27 C LIG 1 3.810 2.109 -0.923 0.00 0.00 +0.249 C ATOM 28 N LIG 1 2.461 1.841 -0.804 0.00 0.00 -0.265 N ATOM 29 H LIG 1 2.171 0.902 -0.587 0.00 0.00 +0.157 HD ATOM 30 O LIG 1 4.348 3.129 -1.333 0.00 0.00 -0.270 OA BRANCH 27 34 ATOM 31 C LIG 1 6.396 -1.159 0.147 0.00 0.00 +0.034 A ATOM 32 C LIG 1 5.264 -0.874 0.924 0.00 0.00 +0.024 A ATOM 33 C LIG 1 4.413 0.186 0.591 0.00 0.00 +0.015 A ATOM 34 C LIG 1 4.688 0.971 -0.534 0.00 0.00 +0.037 A ATOM 35 C LIG 1 5.825 0.704 -1.301 0.00 0.00 +0.015 A ATOM 36 C LIG 1 6.669 -0.361 -0.966 0.00 0.00 +0.024 A BRANCH 31 38 ATOM 37 C LIG 1 8.360 -2.693 -0.032 0.00 0.00 +0.241 C ATOM 38 N LIG 1 7.196 -2.248 0.553 0.00 0.00 -0.282 N ATOM 39 H LIG 1 6.902 -2.723 1.395 0.00 0.00 +0.155 HD ATOM 40 O LIG 1 8.954 -2.206 -0.985 0.00 0.00 -0.271 OA BRANCH 37 42 ATOM 41 C LIG 1 8.281 -4.873 1.220 0.00 0.00 +0.013 C ATOM 42 C LIG 1 8.966 -3.875 0.645 0.00 0.00 +0.060 C ENDBRANCH 37 42 ENDBRANCH 31 38 ENDBRANCH 27 34 ENDBRANCH 1 28 TORSDOF 5