REMARK Name = LIG000614 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.733 -0.790 0.043 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.470 0.282 -0.292 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.720 1.373 -0.496 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.347 1.474 -0.383 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.920 2.752 -0.679 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -2.022 3.416 -0.959 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.659 0.306 -0.017 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -3.138 2.625 -0.863 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.394 -0.821 0.182 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.514 3.029 -1.111 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.968 4.111 -0.131 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.720 3.468 -2.561 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.357 -2.015 0.274 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -2.647 -2.556 0.763 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.656 -1.935 0.963 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -6.050 -3.212 2.700 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -4.786 -3.192 1.851 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -5.779 -1.853 -0.097 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -5.693 -2.957 -1.000 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -4.745 -2.997 -1.240 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 0.731 0.296 0.147 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.137 1.124 -0.285 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.370 -0.953 -0.215 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.870 -0.776 -0.157 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.628 -0.673 -1.330 0.00 0.00 +0.006 A ATOM 26 C LIG 1 5.014 -0.498 -1.266 0.00 0.00 +0.009 A ATOM 27 C LIG 1 5.674 -0.420 -0.031 0.00 0.00 -0.011 A ATOM 28 C LIG 1 4.910 -0.509 1.141 0.00 0.00 +0.009 A ATOM 29 C LIG 1 3.524 -0.683 1.079 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 7.129 -0.224 0.013 0.00 0.00 +0.020 A ATOM 31 S LIG 1 8.108 -1.174 1.053 0.00 0.00 -0.093 S ATOM 32 C LIG 1 9.546 -0.410 0.531 0.00 0.00 -0.013 A ATOM 33 C LIG 1 10.856 -0.819 1.112 0.00 0.00 +0.051 C ATOM 34 C LIG 1 9.292 0.549 -0.425 0.00 0.00 +0.011 A ATOM 35 C LIG 1 7.903 0.653 -0.726 0.00 0.00 +0.016 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10