REMARK Name = LIG001057 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.675 5.087 -0.263 0.00 0.00 +0.061 A ATOM 2 C LIG 1 2.788 4.399 0.248 0.00 0.00 +0.041 A ATOM 3 C LIG 1 2.664 3.017 0.460 0.00 0.00 +0.049 A ATOM 4 N LIG 1 3.576 2.116 0.956 0.00 0.00 -0.339 N ATOM 5 H LIG 1 4.515 2.329 1.258 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 3.034 0.865 1.003 0.00 0.00 +0.145 A ATOM 7 C LIG 1 1.743 0.927 0.508 0.00 0.00 +0.066 A ATOM 8 C LIG 1 1.033 -0.288 0.458 0.00 0.00 +0.132 A ATOM 9 N LIG 1 1.652 -1.399 0.929 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 2.921 -1.324 1.395 0.00 0.00 +0.138 A ATOM 11 N LIG 1 3.683 -0.214 1.457 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 1.494 2.303 0.178 0.00 0.00 +0.012 A ATOM 13 C LIG 1 0.386 3.018 -0.324 0.00 0.00 +0.011 A ATOM 14 C LIG 1 0.489 4.399 -0.541 0.00 0.00 +0.016 A ENDROOT BRANCH 1 15 ATOM 15 C LIG 1 1.706 6.554 -0.520 0.00 0.00 +0.339 C ATOM 16 O LIG 1 0.758 7.182 -0.965 0.00 0.00 -0.245 OA BRANCH 15 18 ATOM 17 C LIG 1 3.021 8.481 -0.417 0.00 0.00 +0.280 C ATOM 18 O LIG 1 2.917 7.074 -0.195 0.00 0.00 -0.464 OA ENDBRANCH 15 18 ENDBRANCH 1 15 BRANCH 8 19 ATOM 19 N LIG 1 -0.266 -0.376 -0.054 0.00 0.00 -0.328 N ATOM 20 H LIG 1 -0.407 0.317 -0.781 0.00 0.00 +0.147 HD BRANCH 19 21 ATOM 21 C LIG 1 -0.704 -1.717 -0.420 0.00 0.00 +0.104 C BRANCH 21 22 ATOM 22 C LIG 1 -2.126 -1.676 -0.986 0.00 0.00 +0.034 C BRANCH 22 23 ATOM 23 C LIG 1 -3.161 -1.299 0.084 0.00 0.00 +0.086 C BRANCH 23 24 ATOM 24 N LIG 1 -4.529 -1.185 -0.463 0.00 0.00 -0.302 NA ATOM 25 C LIG 1 -5.096 -2.499 -0.809 0.00 0.00 +0.084 C ATOM 26 C LIG 1 -6.503 -2.366 -1.395 0.00 0.00 +0.015 C ATOM 27 C LIG 1 -7.433 -1.617 -0.449 0.00 0.00 +0.002 C ATOM 28 C LIG 1 -6.808 -0.292 -0.036 0.00 0.00 +0.015 C ATOM 29 C LIG 1 -5.394 -0.492 0.510 0.00 0.00 +0.084 C ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 8 19 BRANCH 10 30 ATOM 30 C LIG 1 3.544 -2.613 1.879 0.00 0.00 +0.111 C BRANCH 30 31 ATOM 31 C LIG 1 4.233 -3.397 0.785 0.00 0.00 -0.040 A ATOM 32 C LIG 1 5.596 -3.203 0.519 0.00 0.00 +0.004 A ATOM 33 C LIG 1 6.226 -3.918 -0.500 0.00 0.00 +0.000 A ATOM 34 C LIG 1 5.500 -4.828 -1.267 0.00 0.00 +0.000 A ATOM 35 C LIG 1 4.142 -5.021 -1.019 0.00 0.00 +0.000 A ATOM 36 C LIG 1 3.510 -4.307 0.000 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 9