REMARK Name = LIG001776 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.563 4.277 0.752 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -1.756 3.189 0.312 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -2.639 2.312 -0.289 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -2.237 1.097 -0.849 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -0.854 0.868 -0.761 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -0.000 1.792 -0.137 0.00 0.00 +0.072 A ATOM 7 N LIG 1 -3.865 2.908 -0.172 0.00 0.00 -0.273 N ATOM 8 H LIG 1 -4.751 2.520 -0.482 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 -0.422 2.962 0.399 0.00 0.00 -0.242 NA ATOM 10 N LIG 1 -3.848 4.110 0.436 0.00 0.00 -0.156 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.456 1.553 -0.035 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.972 0.281 0.298 0.00 0.00 +0.016 A ATOM 13 C LIG 1 3.345 0.106 0.382 0.00 0.00 -0.017 A ATOM 14 C LIG 1 4.132 -1.121 0.698 0.00 0.00 +0.144 C ATOM 15 N LIG 1 5.503 -0.629 0.713 0.00 0.00 -0.282 N ATOM 16 C LIG 1 5.583 0.690 0.290 0.00 0.00 +0.248 C ATOM 17 O LIG 1 6.577 1.350 0.058 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 4.206 1.171 0.138 0.00 0.00 +0.042 A ATOM 19 C LIG 1 3.754 2.433 -0.188 0.00 0.00 +0.014 A ATOM 20 C LIG 1 2.370 2.616 -0.266 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.636 -1.546 0.768 0.00 0.00 +0.163 C ATOM 22 C LIG 1 7.047 -2.006 -0.639 0.00 0.00 +0.240 C ATOM 23 O LIG 1 6.252 -2.134 -1.570 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 8.358 -2.396 -0.788 0.00 0.00 -0.255 N ATOM 25 H LIG 1 8.617 -2.733 -1.704 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 9.320 -2.502 0.185 0.00 0.00 +0.219 C ATOM 27 O LIG 1 10.409 -3.015 -0.057 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 8.936 -2.048 1.574 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.843 -0.992 1.526 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 30 ATOM 30 N LIG 1 -2.091 5.360 1.394 0.00 0.00 -0.340 N ATOM 31 H LIG 1 -2.677 6.185 1.386 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 -1.096 5.549 1.339 0.00 0.00 +0.144 HD ENDBRANCH 1 30 BRANCH 4 33 ATOM 33 C LIG 1 -3.156 0.139 -1.568 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 -4.521 0.111 -1.006 0.00 0.00 -0.297 NA ATOM 35 C LIG 1 -4.557 -0.603 0.289 0.00 0.00 +0.090 C ATOM 36 C LIG 1 -5.988 -0.743 0.867 0.00 0.00 +0.029 C ATOM 37 C LIG 1 -6.998 -0.013 -0.022 0.00 0.00 +0.014 C ATOM 38 C LIG 1 -6.896 -0.650 -1.410 0.00 0.00 +0.029 C ATOM 39 C LIG 1 -7.279 -2.132 -1.278 0.00 0.00 +0.164 C ATOM 40 O LIG 1 -6.415 -2.820 -0.368 0.00 0.00 -0.379 OA ATOM 41 C LIG 1 -6.400 -2.222 0.932 0.00 0.00 +0.164 C ATOM 42 C LIG 1 -5.458 -0.505 -1.966 0.00 0.00 +0.090 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 5