REMARK Name = BDB024313 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.060 -0.534 -0.304 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.163 -2.054 -0.284 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.071 -2.765 0.924 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.164 -4.157 0.938 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.355 -4.854 -0.253 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.459 -4.162 -1.458 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.367 -2.769 -1.475 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.303 -0.064 0.302 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.375 -0.423 -0.495 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.214 -1.020 -1.296 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.395 0.572 1.351 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.729 -0.160 -0.303 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.515 -0.706 -1.256 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 4.854 -0.504 -1.156 0.00 0.00 +0.123 A ATOM 15 C LIG 1 5.471 0.226 -0.147 0.00 0.00 +0.022 A ATOM 16 C LIG 1 4.628 0.781 0.817 0.00 0.00 +0.015 A ATOM 17 C LIG 1 3.245 0.589 0.742 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.916 0.409 -0.093 0.00 0.00 +0.114 A ATOM 19 N LIG 1 7.517 1.149 0.856 0.00 0.00 -0.152 NA ATOM 20 N LIG 1 8.818 1.036 0.533 0.00 0.00 -0.186 N ATOM 21 C LIG 1 9.836 1.714 1.297 0.00 0.00 +0.197 C ATOM 22 N LIG 1 9.134 0.307 -0.551 0.00 0.00 -0.160 NA ATOM 23 C LIG 1 7.926 -0.101 -0.948 0.00 0.00 +0.164 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.226 0.049 0.393 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -3.066 -0.440 0.080 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.384 1.485 0.128 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -3.682 3.581 0.701 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -3.648 2.052 0.822 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.934 1.431 0.290 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -5.372 1.648 -1.026 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.549 1.054 -1.492 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -7.302 0.231 -0.650 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.873 0.004 0.660 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.697 0.600 1.125 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -8.507 -0.380 -1.130 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -9.480 -0.874 -1.524 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9