REMARK Name = LIG000627 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.062 5.665 0.380 0.00 0.00 +0.061 A ATOM 2 C LIG 1 2.793 4.679 1.061 0.00 0.00 +0.041 A ATOM 3 C LIG 1 2.322 3.359 1.013 0.00 0.00 +0.049 A ATOM 4 N LIG 1 2.848 2.217 1.568 0.00 0.00 -0.339 N ATOM 5 H LIG 1 3.696 2.159 2.111 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 2.068 1.139 1.266 0.00 0.00 +0.145 A ATOM 7 C LIG 1 0.991 1.571 0.511 0.00 0.00 +0.066 A ATOM 8 C LIG 1 0.060 0.584 0.125 0.00 0.00 +0.132 A ATOM 9 N LIG 1 0.321 -0.695 0.486 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 1.427 -0.990 1.209 0.00 0.00 +0.138 A ATOM 11 N LIG 1 2.341 -0.111 1.658 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 1.161 2.987 0.330 0.00 0.00 +0.012 A ATOM 13 C LIG 1 0.448 3.995 -0.357 0.00 0.00 +0.011 A ATOM 14 C LIG 1 0.904 5.322 -0.323 0.00 0.00 +0.016 A ENDROOT BRANCH 1 15 ATOM 15 C LIG 1 2.573 7.064 0.437 0.00 0.00 +0.339 C ATOM 16 O LIG 1 3.583 7.388 1.043 0.00 0.00 -0.245 OA BRANCH 15 18 ATOM 17 C LIG 1 2.199 9.262 -0.257 0.00 0.00 +0.280 C ATOM 18 O LIG 1 1.768 7.900 -0.266 0.00 0.00 -0.464 OA ENDBRANCH 15 18 ENDBRANCH 1 15 BRANCH 8 19 ATOM 19 N LIG 1 -1.085 0.891 -0.599 0.00 0.00 -0.326 N ATOM 20 H LIG 1 -1.366 1.852 -0.450 0.00 0.00 +0.148 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.215 -0.033 -0.701 0.00 0.00 +0.072 C ATOM 22 C LIG 1 -2.881 -0.300 0.653 0.00 0.00 +0.024 C ATOM 23 C LIG 1 -3.988 -1.334 0.481 0.00 0.00 +0.020 C ATOM 24 C LIG 1 -3.429 -2.705 0.039 0.00 0.00 +0.056 C ATOM 25 C LIG 1 -2.091 -2.597 -0.727 0.00 0.00 +0.020 C ATOM 26 C LIG 1 -1.905 -1.300 -1.516 0.00 0.00 +0.024 C BRANCH 24 27 ATOM 27 N LIG 1 -4.501 -3.494 -0.605 0.00 0.00 -0.305 NA ATOM 28 C LIG 1 -4.766 -3.140 -1.998 0.00 0.00 +0.104 C ATOM 29 C LIG 1 -4.257 -4.934 -0.492 0.00 0.00 +0.104 C ENDBRANCH 24 27 ENDBRANCH 19 21 ENDBRANCH 8 19 BRANCH 10 30 ATOM 30 C LIG 1 1.651 -2.446 1.545 0.00 0.00 +0.111 C BRANCH 30 31 ATOM 31 C LIG 1 2.550 -3.163 0.563 0.00 0.00 -0.040 A ATOM 32 C LIG 1 3.900 -3.390 0.866 0.00 0.00 +0.004 A ATOM 33 C LIG 1 4.729 -4.045 -0.046 0.00 0.00 +0.000 A ATOM 34 C LIG 1 4.220 -4.473 -1.271 0.00 0.00 +0.000 A ATOM 35 C LIG 1 2.882 -4.243 -1.587 0.00 0.00 +0.000 A ATOM 36 C LIG 1 2.051 -3.590 -0.676 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 7