REMARK Name = LIG000419 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.187 1.321 -4.046 0.00 0.00 +0.139 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.258 1.554 -3.009 0.00 0.00 -0.030 A ATOM 3 C LIG 1 -2.640 0.504 -2.152 0.00 0.00 +0.011 A ATOM 4 C LIG 1 -3.604 0.749 -1.191 0.00 0.00 -0.018 A ATOM 5 C LIG 1 -4.199 -0.174 -0.182 0.00 0.00 +0.144 C ATOM 6 N LIG 1 -5.085 0.707 0.571 0.00 0.00 -0.282 N ATOM 7 C LIG 1 -5.153 1.976 0.015 0.00 0.00 +0.248 C ATOM 8 O LIG 1 -5.869 2.902 0.347 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -4.177 2.014 -1.079 0.00 0.00 +0.042 A ATOM 10 C LIG 1 -3.827 3.069 -1.898 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -2.852 2.832 -2.870 0.00 0.00 +0.006 A BRANCH 6 12 ATOM 12 C LIG 1 -6.082 0.225 1.518 0.00 0.00 +0.163 C ATOM 13 C LIG 1 -7.214 -0.555 0.827 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -7.401 -0.582 -0.387 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -8.043 -1.258 1.671 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -8.774 -1.781 1.208 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -7.714 -1.717 2.922 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -8.350 -2.624 3.451 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -6.555 -1.034 3.610 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -5.474 -0.648 2.612 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 22 ATOM 21 C LIG 1 0.841 0.392 -3.013 0.00 0.00 +0.244 C ATOM 22 N LIG 1 0.129 1.475 -3.464 0.00 0.00 -0.307 N ATOM 23 H LIG 1 0.387 2.410 -3.191 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 0.449 -0.764 -3.144 0.00 0.00 -0.270 OA BRANCH 21 29 ATOM 25 C LIG 1 5.780 -0.680 0.556 0.00 0.00 -0.041 A ATOM 26 C LIG 1 4.547 -0.927 -0.084 0.00 0.00 +0.015 A ATOM 27 C LIG 1 3.963 0.009 -0.949 0.00 0.00 +0.017 A ATOM 28 C LIG 1 2.703 -0.278 -1.618 0.00 0.00 +0.023 C ATOM 29 C LIG 1 2.130 0.703 -2.330 0.00 0.00 +0.052 C ATOM 30 C LIG 1 2.766 2.053 -2.460 0.00 0.00 +0.269 C ATOM 31 O LIG 1 4.134 2.176 -2.037 0.00 0.00 -0.487 OA ATOM 32 C LIG 1 4.613 1.217 -1.190 0.00 0.00 +0.128 A ATOM 33 C LIG 1 5.836 1.481 -0.582 0.00 0.00 +0.046 A ATOM 34 C LIG 1 6.411 0.545 0.285 0.00 0.00 +0.008 A BRANCH 25 36 ATOM 35 C LIG 1 6.635 -3.045 0.723 0.00 0.00 +0.015 C ATOM 36 C LIG 1 6.385 -1.734 1.501 0.00 0.00 -0.013 C ATOM 37 C LIG 1 7.733 -1.311 2.128 0.00 0.00 +0.015 C ATOM 38 C LIG 1 5.408 -2.011 2.664 0.00 0.00 +0.015 C ENDBRANCH 25 36 ENDBRANCH 21 29 ENDBRANCH 1 22 TORSDOF 5