REMARK Name = LIG001142 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.984 -1.472 -0.464 0.00 0.00 +0.134 A ATOM 2 C LIG 1 -0.112 -0.626 0.248 0.00 0.00 +0.066 A ATOM 3 C LIG 1 -0.686 0.195 1.204 0.00 0.00 +0.145 A ATOM 4 N LIG 1 0.303 0.926 1.794 0.00 0.00 -0.339 N ATOM 5 H LIG 1 0.140 1.603 2.524 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 1.524 0.621 1.239 0.00 0.00 +0.049 A ATOM 7 C LIG 1 2.800 1.128 1.525 0.00 0.00 +0.038 A ATOM 8 C LIG 1 3.892 0.644 0.782 0.00 0.00 +0.025 A ATOM 9 C LIG 1 3.679 -0.316 -0.215 0.00 0.00 +0.012 A ATOM 10 C LIG 1 2.396 -0.813 -0.488 0.00 0.00 +0.011 A ATOM 11 N LIG 1 -1.983 0.287 1.524 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 -2.748 -0.531 0.775 0.00 0.00 +0.138 A ATOM 13 C LIG 1 1.294 -0.344 0.256 0.00 0.00 +0.012 A ATOM 14 N LIG 1 -2.311 -1.391 -0.176 0.00 0.00 -0.216 NA ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 5.234 1.149 1.052 0.00 0.00 +0.205 A ATOM 16 N LIG 1 6.347 0.759 0.403 0.00 0.00 -0.131 NA ATOM 17 N LIG 1 7.265 1.510 1.033 0.00 0.00 -0.166 N ATOM 18 C LIG 1 8.656 1.485 0.671 0.00 0.00 +0.199 C ATOM 19 N LIG 1 6.802 2.322 1.993 0.00 0.00 -0.046 NA ATOM 20 N LIG 1 5.497 2.095 2.019 0.00 0.00 -0.108 NA ENDBRANCH 8 15 BRANCH 1 22 ATOM 21 C LIG 1 -0.068 -3.608 -0.783 0.00 0.00 +0.130 C ATOM 22 N LIG 1 -0.525 -2.382 -1.441 0.00 0.00 -0.321 N ATOM 23 C LIG 1 -1.531 -2.617 -2.478 0.00 0.00 +0.130 C ENDBRANCH 1 22 BRANCH 12 24 ATOM 24 C LIG 1 -4.238 -0.492 1.022 0.00 0.00 +0.111 C BRANCH 24 25 ATOM 25 C LIG 1 -4.968 0.502 0.147 0.00 0.00 -0.040 A ATOM 26 C LIG 1 -5.187 1.815 0.589 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -5.850 2.734 -0.226 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -6.294 2.353 -1.491 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -6.072 1.054 -1.945 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -5.410 0.133 -1.132 0.00 0.00 +0.004 A ENDBRANCH 24 25 ENDBRANCH 12 24 TORSDOF 4