REMARK Name = LIG001447 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.251 3.559 1.438 0.00 0.00 -0.316 N ATOM 2 C LIG 1 -1.604 2.376 0.867 0.00 0.00 +0.132 A ATOM 3 N LIG 1 -2.821 1.835 0.706 0.00 0.00 -0.292 N ATOM 4 H LIG 1 -3.692 2.349 0.748 0.00 0.00 +0.151 HD ATOM 5 C LIG 1 -2.884 0.710 -0.212 0.00 0.00 +0.283 C ATOM 6 N LIG 1 -1.664 -0.091 -0.405 0.00 0.00 -0.226 NA ATOM 7 C LIG 1 -0.522 0.451 -0.124 0.00 0.00 +0.151 C ATOM 8 C LIG 1 -0.440 1.765 0.486 0.00 0.00 +0.143 A ATOM 9 N LIG 1 0.644 2.541 0.814 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 0.124 3.615 1.375 0.00 0.00 +0.201 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -2.043 5.889 1.267 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -2.126 4.564 2.024 0.00 0.00 +0.084 C ATOM 13 C LIG 1 -1.849 4.755 3.515 0.00 0.00 +0.030 C ENDBRANCH 1 12 BRANCH 7 14 ATOM 14 N LIG 1 0.673 -0.204 -0.316 0.00 0.00 -0.298 N ATOM 15 H LIG 1 0.468 -1.137 -0.665 0.00 0.00 +0.154 HD BRANCH 14 16 ATOM 16 C LIG 1 1.700 0.340 -1.125 0.00 0.00 +0.038 A ATOM 17 C LIG 1 3.028 0.105 -0.809 0.00 0.00 +0.003 A ATOM 18 C LIG 1 3.612 -0.570 0.386 0.00 0.00 +0.146 C ATOM 19 N LIG 1 5.047 -0.420 0.170 0.00 0.00 -0.282 N ATOM 20 C LIG 1 5.332 0.164 -1.054 0.00 0.00 +0.248 C ATOM 21 O LIG 1 6.422 0.341 -1.563 0.00 0.00 -0.270 OA ATOM 22 C LIG 1 4.048 0.542 -1.654 0.00 0.00 +0.043 A ATOM 23 C LIG 1 3.808 1.204 -2.841 0.00 0.00 +0.013 A ATOM 24 C LIG 1 2.476 1.431 -3.185 0.00 0.00 +0.003 A ATOM 25 C LIG 1 1.435 0.995 -2.342 0.00 0.00 +0.023 A BRANCH 19 26 ATOM 26 C LIG 1 6.055 -1.127 0.949 0.00 0.00 +0.163 C ATOM 27 C LIG 1 6.028 -2.643 0.694 0.00 0.00 +0.240 C ATOM 28 O LIG 1 5.411 -3.187 -0.219 0.00 0.00 -0.273 OA ATOM 29 N LIG 1 6.759 -3.401 1.582 0.00 0.00 -0.255 N ATOM 30 H LIG 1 6.725 -4.398 1.417 0.00 0.00 +0.158 HD ATOM 31 C LIG 1 7.091 -3.042 2.863 0.00 0.00 +0.219 C ATOM 32 O LIG 1 7.420 -3.885 3.692 0.00 0.00 -0.275 OA ATOM 33 C LIG 1 7.053 -1.565 3.184 0.00 0.00 +0.098 C ATOM 34 C LIG 1 5.917 -0.872 2.447 0.00 0.00 +0.041 C ENDBRANCH 19 26 ENDBRANCH 14 16 ENDBRANCH 7 14 BRANCH 5 35 ATOM 35 N LIG 1 -3.986 -0.056 0.306 0.00 0.00 -0.308 N ATOM 36 H LIG 1 -3.753 -0.314 1.258 0.00 0.00 +0.150 HD BRANCH 35 37 ATOM 37 C LIG 1 -4.518 -1.139 -0.401 0.00 0.00 +0.030 A ATOM 38 C LIG 1 -4.407 -1.296 -1.789 0.00 0.00 +0.027 A ATOM 39 C LIG 1 -5.035 -2.369 -2.409 0.00 0.00 -0.042 A ATOM 40 C LIG 1 -5.052 -2.705 -3.867 0.00 0.00 +0.036 C ATOM 41 C LIG 1 -5.537 -4.162 -3.831 0.00 0.00 +0.009 C ATOM 42 C LIG 1 -6.421 -4.300 -2.583 0.00 0.00 +0.036 C ATOM 43 C LIG 1 -5.812 -3.272 -1.682 0.00 0.00 -0.044 A ATOM 44 C LIG 1 -5.984 -3.117 -0.322 0.00 0.00 +0.006 A ATOM 45 C LIG 1 -5.340 -2.045 0.308 0.00 0.00 +0.023 A ENDBRANCH 35 37 ENDBRANCH 5 35 TORSDOF 6