REMARK Name = BDB000897 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.679 -2.138 -0.507 0.00 0.00 +0.164 A ATOM 2 C LIG 1 1.875 -3.211 -0.917 0.00 0.00 +0.162 A ATOM 3 C LIG 1 0.512 -3.197 -0.611 0.00 0.00 +0.062 A ATOM 4 C LIG 1 -0.071 -2.109 0.090 0.00 0.00 +0.044 A ATOM 5 C LIG 1 0.733 -1.022 0.454 0.00 0.00 +0.080 A ATOM 6 N LIG 1 0.253 0.055 1.080 0.00 0.00 -0.235 NA ATOM 7 C LIG 1 -1.056 0.064 1.347 0.00 0.00 +0.223 A ATOM 8 N LIG 1 -1.922 -0.910 1.064 0.00 0.00 -0.220 NA ATOM 9 C LIG 1 -1.431 -2.007 0.458 0.00 0.00 +0.134 A ATOM 10 C LIG 1 2.089 -1.057 0.155 0.00 0.00 +0.078 A ENDROOT BRANCH 2 11 ATOM 11 O LIG 1 2.509 -4.233 -1.577 0.00 0.00 -0.491 OA ATOM 12 C LIG 1 1.697 -5.147 -2.302 0.00 0.00 +0.277 C ENDBRANCH 2 11 BRANCH 9 13 ATOM 13 N LIG 1 -2.310 -3.089 0.168 0.00 0.00 -0.296 N ATOM 14 H LIG 1 -1.862 -3.959 0.441 0.00 0.00 +0.154 HD BRANCH 13 15 ATOM 15 C LIG 1 -3.664 -3.088 0.146 0.00 0.00 +0.070 A ATOM 16 C LIG 1 -4.518 -2.025 -0.009 0.00 0.00 +0.132 A ATOM 17 N LIG 1 -5.783 -2.539 0.056 0.00 0.00 -0.261 N ATOM 18 N LIG 1 -5.802 -3.888 0.139 0.00 0.00 -0.177 NA ATOM 19 C LIG 1 -4.509 -4.213 0.227 0.00 0.00 +0.157 A BRANCH 17 20 ATOM 20 C LIG 1 -7.038 -1.828 -0.103 0.00 0.00 +0.239 C BRANCH 20 21 ATOM 21 C LIG 1 -7.030 -0.467 0.557 0.00 0.00 +0.239 C ATOM 22 N LIG 1 -6.971 0.583 -0.348 0.00 0.00 -0.282 N ATOM 23 H LIG 1 -6.935 0.363 -1.340 0.00 0.00 +0.155 HD ATOM 24 O LIG 1 -7.076 -0.348 1.778 0.00 0.00 -0.273 OA BRANCH 22 25 ATOM 25 C LIG 1 -6.933 1.967 -0.061 0.00 0.00 +0.072 A ATOM 26 C LIG 1 -6.883 2.842 -1.154 0.00 0.00 +0.179 A ATOM 27 F LIG 1 -6.874 2.336 -2.400 0.00 0.00 -0.201 F ATOM 28 C LIG 1 -6.847 4.220 -0.970 0.00 0.00 +0.160 A ATOM 29 F LIG 1 -6.806 5.041 -2.028 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -6.861 4.758 0.311 0.00 0.00 +0.041 A ATOM 31 C LIG 1 -6.908 3.901 1.411 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.943 2.511 1.226 0.00 0.00 +0.026 A ENDBRANCH 22 25 ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 13 15 ENDBRANCH 9 13 BRANCH 1 33 ATOM 33 O LIG 1 4.008 -2.221 -0.833 0.00 0.00 -0.488 OA BRANCH 33 34 ATOM 34 C LIG 1 4.937 -1.332 -0.209 0.00 0.00 +0.230 C BRANCH 34 35 ATOM 35 C LIG 1 5.208 -0.136 -1.120 0.00 0.00 +0.056 C BRANCH 35 36 ATOM 36 C LIG 1 6.311 0.779 -0.577 0.00 0.00 +0.088 C BRANCH 36 37 ATOM 37 N LIG 1 6.027 1.354 0.751 0.00 0.00 -0.300 NA BRANCH 37 39 ATOM 38 C LIG 1 7.105 2.354 2.788 0.00 0.00 +0.020 C ATOM 39 C LIG 1 7.264 1.893 1.342 0.00 0.00 +0.081 C ENDBRANCH 37 39 BRANCH 37 40 ATOM 40 C LIG 1 4.908 2.315 0.739 0.00 0.00 +0.112 C BRANCH 40 41 ATOM 41 C LIG 1 5.111 3.641 -0.015 0.00 0.00 +0.171 C BRANCH 41 42 ATOM 42 O LIG 1 3.934 4.443 0.060 0.00 0.00 -0.394 OA ATOM 43 H LIG 1 3.758 4.621 1.001 0.00 0.00 +0.209 HD ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 37 40 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 15