REMARK Name = BDB036730 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.280 -0.556 1.238 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.906 -0.443 1.006 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.399 -0.619 1.639 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.318 -0.222 0.530 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -0.611 0.190 -0.747 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -0.856 1.657 -1.108 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -0.896 -0.753 -1.920 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -2.654 -0.159 0.846 0.00 0.00 +0.303 C ATOM 9 N LIG 1 -3.485 0.234 -0.162 0.00 0.00 -0.295 N ATOM 10 H LIG 1 -3.280 -0.235 -1.032 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -3.067 -0.419 1.974 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 0.778 -0.004 -0.273 0.00 0.00 +0.066 A ATOM 13 N LIG 1 2.019 0.144 -0.773 0.00 0.00 -0.277 N ATOM 14 H LIG 1 2.321 0.459 -1.691 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 2.961 -0.192 0.138 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 4.155 -1.061 2.788 0.00 0.00 +0.249 C ATOM 17 N LIG 1 2.834 -0.950 2.434 0.00 0.00 -0.265 N ATOM 18 H LIG 1 2.202 -1.035 3.217 0.00 0.00 +0.157 HD ATOM 19 O LIG 1 4.459 -1.158 3.978 0.00 0.00 -0.270 OA BRANCH 16 23 ATOM 20 C LIG 1 7.397 -1.251 -0.009 0.00 0.00 +0.034 A ATOM 21 C LIG 1 6.321 -2.144 -0.113 0.00 0.00 +0.024 A ATOM 22 C LIG 1 5.246 -2.080 0.780 0.00 0.00 +0.015 A ATOM 23 C LIG 1 5.240 -1.112 1.786 0.00 0.00 +0.037 A ATOM 24 C LIG 1 6.333 -0.256 1.933 0.00 0.00 +0.015 A ATOM 25 C LIG 1 7.406 -0.326 1.037 0.00 0.00 +0.024 A BRANCH 20 27 ATOM 26 C LIG 1 9.514 -0.638 -1.273 0.00 0.00 +0.241 C ATOM 27 N LIG 1 8.435 -1.403 -0.947 0.00 0.00 -0.282 N ATOM 28 H LIG 1 8.453 -2.283 -1.449 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 10.440 -1.128 -1.919 0.00 0.00 -0.271 OA BRANCH 26 31 ATOM 30 C LIG 1 8.623 1.660 -1.264 0.00 0.00 +0.013 C ATOM 31 C LIG 1 9.585 0.795 -0.916 0.00 0.00 +0.060 C ENDBRANCH 26 31 ENDBRANCH 20 27 ENDBRANCH 16 23 ENDBRANCH 1 17 BRANCH 9 32 ATOM 32 C LIG 1 -4.938 0.345 0.032 0.00 0.00 +0.094 C BRANCH 32 33 ATOM 33 C LIG 1 -5.326 1.736 0.562 0.00 0.00 +0.038 C ATOM 34 C LIG 1 -6.825 1.950 0.710 0.00 0.00 +0.165 C ATOM 35 O LIG 1 -6.998 3.029 1.639 0.00 0.00 -0.379 OA ATOM 36 C LIG 1 -5.758 3.229 2.333 0.00 0.00 +0.160 C ATOM 37 C LIG 1 -4.859 2.066 1.967 0.00 0.00 +0.035 C ENDBRANCH 32 33 BRANCH 32 38 ATOM 38 C LIG 1 -5.636 0.060 -1.333 0.00 0.00 +0.106 C BRANCH 38 39 ATOM 39 N LIG 1 -5.050 -1.095 -2.058 0.00 0.00 -0.307 NA ATOM 40 C LIG 1 -5.588 -1.149 -3.422 0.00 0.00 +0.104 C ATOM 41 C LIG 1 -5.338 -2.360 -1.371 0.00 0.00 +0.104 C ENDBRANCH 38 39 ENDBRANCH 32 38 ENDBRANCH 9 32 TORSDOF 8