REMARK Name = LIG001259 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.772 1.094 0.947 0.00 0.00 -0.299 N ATOM 2 H LIG 1 -1.361 1.677 0.365 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 N LIG 1 -4.976 -0.273 0.606 0.00 0.00 -0.282 N ATOM 4 C LIG 1 -4.702 -1.577 0.984 0.00 0.00 +0.248 C ATOM 5 O LIG 1 -5.465 -2.522 1.044 0.00 0.00 -0.270 OA ATOM 6 C LIG 1 -3.271 -1.638 1.297 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -2.699 -0.396 1.003 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.338 -0.175 1.188 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -0.608 -1.239 1.751 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.198 -2.488 2.040 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -2.551 -2.701 1.802 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -3.760 0.516 0.481 0.00 0.00 +0.146 C BRANCH 3 19 ATOM 13 O LIG 1 -9.855 -0.164 -1.954 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -8.794 -0.142 -1.336 0.00 0.00 +0.219 C ATOM 15 N LIG 1 -7.607 -0.434 -1.959 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -7.671 -0.691 -2.934 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -6.333 -0.281 -1.460 0.00 0.00 +0.240 C ATOM 18 O LIG 1 -5.358 -0.395 -2.203 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 -6.232 0.166 0.006 0.00 0.00 +0.163 C ATOM 20 C LIG 1 -7.474 -0.264 0.786 0.00 0.00 +0.041 C ATOM 21 C LIG 1 -8.714 0.297 0.108 0.00 0.00 +0.098 C ENDBRANCH 3 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 C LIG 1 0.585 1.414 0.678 0.00 0.00 +0.128 A ATOM 23 N LIG 1 1.479 0.458 0.378 0.00 0.00 -0.199 NA ATOM 24 C LIG 1 2.749 0.816 0.128 0.00 0.00 +0.221 A ATOM 25 N LIG 1 3.173 2.085 0.171 0.00 0.00 -0.223 NA ATOM 26 C LIG 1 2.267 3.024 0.481 0.00 0.00 +0.118 A ATOM 27 C LIG 1 0.951 2.743 0.742 0.00 0.00 +0.063 A BRANCH 24 28 ATOM 28 N LIG 1 3.598 -0.241 -0.189 0.00 0.00 -0.284 N ATOM 29 H LIG 1 3.061 -1.096 -0.190 0.00 0.00 +0.155 HD BRANCH 28 30 ATOM 30 C LIG 1 4.955 -0.342 -0.512 0.00 0.00 +0.034 A ATOM 31 C LIG 1 5.834 0.746 -0.551 0.00 0.00 +0.031 A ATOM 32 C LIG 1 7.195 0.593 -0.882 0.00 0.00 -0.016 A ATOM 33 C LIG 1 7.696 -0.691 -1.183 0.00 0.00 -0.018 A ATOM 34 C LIG 1 9.053 -0.844 -1.512 0.00 0.00 +0.008 A ATOM 35 C LIG 1 9.907 0.259 -1.545 0.00 0.00 +0.001 A ATOM 36 C LIG 1 9.415 1.527 -1.248 0.00 0.00 +0.001 A ATOM 37 C LIG 1 6.824 -1.785 -1.145 0.00 0.00 +0.010 A ATOM 38 C LIG 1 8.069 1.693 -0.919 0.00 0.00 +0.008 A ATOM 39 C LIG 1 5.476 -1.609 -0.814 0.00 0.00 +0.024 A ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 1 22 TORSDOF 5