REMARK Name = LIG000860 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.843 -0.744 1.385 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -1.576 -1.081 1.289 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.207 -2.325 1.736 0.00 0.00 +0.165 A ATOM 4 N LIG 1 -2.137 -3.208 2.295 0.00 0.00 -0.221 N ATOM 5 N LIG 1 -1.572 -4.384 2.659 0.00 0.00 -0.173 NA ATOM 6 C LIG 1 -0.289 -4.247 2.325 0.00 0.00 +0.145 A ATOM 7 C LIG 1 -3.469 -2.842 2.425 0.00 0.00 +0.118 A ATOM 8 C LIG 1 0.007 -2.991 1.752 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -3.883 -1.642 2.003 0.00 0.00 +0.063 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 1.271 -2.472 1.253 0.00 0.00 -0.012 A ATOM 11 C LIG 1 1.611 -1.117 1.423 0.00 0.00 +0.014 A ATOM 12 C LIG 1 2.831 -0.669 0.944 0.00 0.00 -0.017 A ATOM 13 C LIG 1 3.420 0.699 0.971 0.00 0.00 +0.144 C ATOM 14 N LIG 1 4.738 0.492 0.385 0.00 0.00 -0.282 N ATOM 15 C LIG 1 4.895 -0.797 -0.093 0.00 0.00 +0.248 C ATOM 16 O LIG 1 5.809 -1.253 -0.750 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 3.701 -1.549 0.307 0.00 0.00 +0.042 A ATOM 18 C LIG 1 3.406 -2.884 0.119 0.00 0.00 +0.014 A ATOM 19 C LIG 1 2.177 -3.344 0.603 0.00 0.00 +0.009 A BRANCH 14 20 ATOM 20 C LIG 1 5.617 1.618 0.094 0.00 0.00 +0.163 C ATOM 21 C LIG 1 5.545 1.977 -1.390 0.00 0.00 +0.240 C ATOM 22 O LIG 1 4.501 2.356 -1.923 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 6.687 1.815 -2.130 0.00 0.00 -0.255 N ATOM 24 H LIG 1 6.613 2.044 -3.111 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 7.885 1.273 -1.744 0.00 0.00 +0.219 C ATOM 26 O LIG 1 8.809 1.169 -2.548 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 8.008 0.798 -0.319 0.00 0.00 +0.098 C ATOM 28 C LIG 1 7.044 1.498 0.623 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 8 10 BRANCH 1 29 ATOM 29 N LIG 1 -3.180 0.510 0.924 0.00 0.00 -0.299 N ATOM 30 H LIG 1 -2.355 0.977 0.555 0.00 0.00 +0.154 HD BRANCH 29 35 ATOM 31 C LIG 1 -6.426 1.475 -1.625 0.00 0.00 +0.123 A ATOM 32 C LIG 1 -5.856 2.446 -0.785 0.00 0.00 -0.007 A ATOM 33 C LIG 1 -6.374 3.858 -0.780 0.00 0.00 +0.047 C ATOM 34 C LIG 1 -4.786 2.094 0.055 0.00 0.00 +0.030 A ATOM 35 C LIG 1 -4.288 0.786 0.091 0.00 0.00 +0.033 A ATOM 36 C LIG 1 -4.849 -0.162 -0.769 0.00 0.00 +0.027 A ATOM 37 C LIG 1 -5.913 0.176 -1.614 0.00 0.00 +0.048 A BRANCH 31 39 ATOM 38 C LIG 1 -8.060 0.951 -3.282 0.00 0.00 +0.277 C ATOM 39 O LIG 1 -7.462 1.903 -2.412 0.00 0.00 -0.495 OA ENDBRANCH 31 39 ENDBRANCH 29 35 ENDBRANCH 1 29 TORSDOF 5