REMARK Name = LIG000910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.468 0.255 -1.325 0.00 0.00 +0.248 C ATOM 2 N LIG 1 0.119 -0.049 -0.021 0.00 0.00 -0.281 N ATOM 3 H LIG 1 0.869 -0.111 0.654 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -0.297 0.503 -2.250 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -1.183 -0.201 0.503 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -2.346 -0.122 -0.276 0.00 0.00 +0.029 A ATOM 7 C LIG 1 -3.575 -0.291 0.344 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -4.945 -0.240 -0.242 0.00 0.00 +0.144 C ATOM 9 N LIG 1 -5.794 -0.550 0.902 0.00 0.00 -0.282 N ATOM 10 C LIG 1 -5.062 -0.671 2.076 0.00 0.00 +0.248 C ATOM 11 O LIG 1 -5.472 -0.858 3.205 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -3.648 -0.538 1.710 0.00 0.00 +0.042 A ATOM 13 C LIG 1 -2.527 -0.623 2.510 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -1.285 -0.453 1.891 0.00 0.00 +0.024 A BRANCH 9 15 ATOM 15 C LIG 1 -7.247 -0.400 0.905 0.00 0.00 +0.163 C ATOM 16 C LIG 1 -7.656 1.063 0.659 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -7.108 2.025 1.194 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 -8.669 1.263 -0.244 0.00 0.00 -0.255 N ATOM 19 H LIG 1 -8.935 2.233 -0.356 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 -8.791 0.545 -1.402 0.00 0.00 +0.219 C ATOM 21 O LIG 1 -9.322 1.034 -2.396 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -8.134 -0.813 -1.431 0.00 0.00 +0.098 C ATOM 23 C LIG 1 -7.958 -1.377 -0.032 0.00 0.00 +0.041 C ENDBRANCH 9 15 ENDBRANCH 2 5 BRANCH 1 26 ATOM 24 C LIG 1 4.202 -0.437 -1.216 0.00 0.00 +0.129 A ATOM 25 C LIG 1 2.836 -0.539 -0.944 0.00 0.00 +0.059 A ATOM 26 C LIG 1 1.934 0.316 -1.589 0.00 0.00 +0.040 A ATOM 27 C LIG 1 2.404 1.237 -2.534 0.00 0.00 +0.013 A ATOM 28 C LIG 1 3.768 1.318 -2.820 0.00 0.00 +0.004 A ATOM 29 C LIG 1 4.668 0.478 -2.164 0.00 0.00 +0.046 A BRANCH 24 30 ATOM 30 O LIG 1 5.027 -1.330 -0.568 0.00 0.00 -0.456 OA BRANCH 30 34 ATOM 31 C LIG 1 8.694 -0.028 0.940 0.00 0.00 +0.120 A ATOM 32 C LIG 1 8.595 -1.187 0.164 0.00 0.00 +0.049 A ATOM 33 C LIG 1 7.361 -1.605 -0.338 0.00 0.00 +0.050 A ATOM 34 C LIG 1 6.219 -0.852 -0.077 0.00 0.00 +0.129 A ATOM 35 C LIG 1 6.302 0.294 0.717 0.00 0.00 +0.050 A ATOM 36 C LIG 1 7.541 0.710 1.218 0.00 0.00 +0.049 A BRANCH 31 38 ATOM 37 C LIG 1 10.117 1.437 2.158 0.00 0.00 +0.277 C ATOM 38 O LIG 1 9.960 0.267 1.365 0.00 0.00 -0.495 OA ENDBRANCH 31 38 ENDBRANCH 30 34 ENDBRANCH 24 30 ENDBRANCH 1 26 TORSDOF 6