REMARK Name = LIG001490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.116 0.907 -1.249 0.00 0.00 +0.211 A ATOM 2 C LIG 1 -0.558 2.237 -1.332 0.00 0.00 +0.288 A ATOM 3 O LIG 1 0.133 3.246 -1.368 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 -1.935 2.200 -1.323 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -2.673 1.033 -1.137 0.00 0.00 +0.353 A ATOM 6 O LIG 1 -3.904 1.069 -1.198 0.00 0.00 -0.244 OA ATOM 7 N LIG 1 -1.918 -0.138 -0.902 0.00 0.00 -0.181 N ATOM 8 N LIG 1 -0.545 -0.185 -1.014 0.00 0.00 -0.152 NA ENDROOT BRANCH 7 9 ATOM 9 C LIG 1 -2.500 -1.420 -0.578 0.00 0.00 +0.071 A ATOM 10 C LIG 1 -3.833 -1.574 -0.168 0.00 0.00 +0.031 A ATOM 11 C LIG 1 -4.381 -2.835 0.154 0.00 0.00 -0.046 A ATOM 12 C LIG 1 -5.821 -2.919 0.587 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -3.575 -3.983 0.076 0.00 0.00 -0.047 A ATOM 14 C LIG 1 -4.111 -5.348 0.406 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -2.243 -3.844 -0.323 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -1.717 -2.586 -0.640 0.00 0.00 +0.028 A ENDBRANCH 7 9 BRANCH 1 19 ATOM 17 N LIG 1 2.174 -0.004 -0.389 0.00 0.00 -0.280 N ATOM 18 H LIG 1 1.515 -0.427 0.257 0.00 0.00 +0.155 HD ATOM 19 C LIG 1 1.616 0.758 -1.399 0.00 0.00 +0.274 C ATOM 20 O LIG 1 2.158 1.263 -2.369 0.00 0.00 -0.268 OA BRANCH 17 24 ATOM 21 C LIG 1 6.211 -1.058 0.272 0.00 0.00 +0.059 A ATOM 22 C LIG 1 5.890 -0.198 -0.784 0.00 0.00 +0.017 A ATOM 23 C LIG 1 4.558 0.166 -1.023 0.00 0.00 +0.024 A ATOM 24 C LIG 1 3.532 -0.326 -0.214 0.00 0.00 +0.034 A ATOM 25 C LIG 1 3.855 -1.183 0.845 0.00 0.00 +0.024 A ATOM 26 C LIG 1 5.184 -1.548 1.086 0.00 0.00 +0.017 A BRANCH 21 27 ATOM 27 C LIG 1 7.608 -1.476 0.571 0.00 0.00 +0.339 C ATOM 28 O LIG 1 7.903 -2.226 1.488 0.00 0.00 -0.245 OA BRANCH 27 30 ATOM 29 C LIG 1 9.840 -1.270 -0.081 0.00 0.00 +0.280 C ATOM 30 O LIG 1 8.476 -0.914 -0.306 0.00 0.00 -0.464 OA ENDBRANCH 27 30 ENDBRANCH 21 27 ENDBRANCH 17 24 ENDBRANCH 1 19 BRANCH 4 31 ATOM 31 C LIG 1 -2.648 3.465 -1.435 0.00 0.00 +0.165 C BRANCH 31 32 ATOM 32 C LIG 1 -2.901 4.098 -0.082 0.00 0.00 -0.028 A ATOM 33 C LIG 1 -4.060 3.789 0.644 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -4.282 4.354 1.901 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.348 5.231 2.447 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.190 5.544 1.737 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -1.966 4.979 0.480 0.00 0.00 +0.005 A ENDBRANCH 31 32 ENDBRANCH 4 31 TORSDOF 7