REMARK Name = BDB001292 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.130 -0.575 1.232 0.00 0.00 +0.040 C ATOM 2 C LIG 1 -1.214 0.104 0.205 0.00 0.00 +0.115 C ATOM 3 N LIG 1 0.150 0.253 0.722 0.00 0.00 -0.285 N ATOM 4 C LIG 1 1.191 0.306 -0.192 0.00 0.00 +0.302 C ATOM 5 N LIG 1 2.441 0.304 0.370 0.00 0.00 -0.295 N ATOM 6 H LIG 1 2.512 -0.199 1.241 0.00 0.00 +0.151 HD ATOM 7 O LIG 1 1.018 0.343 -1.407 0.00 0.00 -0.253 OA ATOM 8 C LIG 1 0.299 0.510 2.155 0.00 0.00 +0.109 C ATOM 9 C LIG 1 -0.955 1.129 2.759 0.00 0.00 +0.019 C ATOM 10 C LIG 1 -2.201 0.275 2.522 0.00 0.00 +0.009 C ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -3.554 -0.860 0.697 0.00 0.00 +0.153 C BRANCH 11 12 ATOM 12 C LIG 1 -3.560 -1.970 -0.343 0.00 0.00 -0.016 A ATOM 13 C LIG 1 -3.597 -3.310 0.074 0.00 0.00 +0.044 A ATOM 14 C LIG 1 -3.588 -4.336 -0.867 0.00 0.00 +0.124 A ATOM 15 F LIG 1 -3.628 -5.608 -0.451 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -3.541 -4.062 -2.228 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -3.503 -2.738 -2.657 0.00 0.00 +0.003 A ATOM 18 C LIG 1 -3.512 -1.700 -1.721 0.00 0.00 +0.006 A ENDBRANCH 11 12 BRANCH 11 19 ATOM 19 O LIG 1 -4.103 0.357 0.175 0.00 0.00 -0.372 OA BRANCH 19 20 ATOM 20 C LIG 1 -5.532 0.396 0.238 0.00 0.00 +0.163 C BRANCH 20 21 ATOM 21 C LIG 1 -5.990 1.719 -0.363 0.00 0.00 +0.056 C BRANCH 21 22 ATOM 22 C LIG 1 -7.506 1.831 -0.430 0.00 0.00 +0.162 C BRANCH 22 23 ATOM 23 O LIG 1 -8.056 1.688 0.878 0.00 0.00 -0.380 OA BRANCH 23 25 ATOM 24 C LIG 1 -8.084 3.979 1.686 0.00 0.00 +0.034 C ATOM 25 C LIG 1 -8.901 2.767 1.273 0.00 0.00 +0.156 C ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 3.654 0.258 -0.462 0.00 0.00 +0.088 C BRANCH 26 27 ATOM 27 C LIG 1 4.840 0.732 0.405 0.00 0.00 +0.027 C BRANCH 27 28 ATOM 28 C LIG 1 6.248 0.860 -0.216 0.00 0.00 -0.009 C ATOM 29 C LIG 1 6.276 1.511 -1.609 0.00 0.00 +0.003 C ATOM 30 C LIG 1 7.588 1.271 -2.365 0.00 0.00 +0.000 C ATOM 31 C LIG 1 8.763 1.028 -1.428 0.00 0.00 +0.000 C ATOM 32 C LIG 1 8.535 -0.190 -0.531 0.00 0.00 +0.000 C ATOM 33 C LIG 1 7.059 -0.442 -0.197 0.00 0.00 +0.003 C ENDBRANCH 27 28 ENDBRANCH 26 27 BRANCH 26 34 ATOM 34 C LIG 1 3.824 -1.146 -1.096 0.00 0.00 +0.103 C BRANCH 34 35 ATOM 35 N LIG 1 3.911 -2.207 -0.075 0.00 0.00 -0.317 NA ATOM 36 H LIG 1 3.002 -2.265 0.384 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 4.189 -3.494 -0.702 0.00 0.00 +0.101 C ENDBRANCH 34 35 ENDBRANCH 26 34 ENDBRANCH 5 26 TORSDOF 13