REMARK Name = BDB038869 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.847 -0.396 -1.244 0.00 0.00 +0.096 A ATOM 2 C LIG 1 -2.922 0.136 -0.522 0.00 0.00 +0.074 A ATOM 3 N LIG 1 -2.951 0.806 0.682 0.00 0.00 -0.352 N ATOM 4 H LIG 1 -2.134 1.025 1.235 0.00 0.00 +0.166 HD ATOM 5 C LIG 1 -4.235 1.149 1.030 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -5.068 0.705 0.005 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -6.454 0.941 0.113 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -6.952 1.607 1.239 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -6.093 2.038 2.246 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -4.715 1.819 2.161 0.00 0.00 +0.026 A ATOM 11 C LIG 1 -4.240 0.077 -0.979 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -4.497 -0.534 -2.213 0.00 0.00 +0.045 A ATOM 13 CA LIG 1 -3.391 -1.024 -2.890 0.00 0.00 +0.149 A ATOM 14 N LIG 1 -2.101 -0.967 -2.450 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 18 ATOM 15 C LIG 1 2.253 -0.279 0.080 0.00 0.00 -0.018 A ATOM 16 C LIG 1 1.881 0.209 -1.181 0.00 0.00 +0.009 A ATOM 17 C LIG 1 0.548 0.164 -1.609 0.00 0.00 +0.011 A ATOM 18 C LIG 1 -0.459 -0.362 -0.788 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -0.085 -0.863 0.468 0.00 0.00 +0.011 A ATOM 20 C LIG 1 1.248 -0.819 0.895 0.00 0.00 +0.009 A BRANCH 15 24 ATOM 21 C LIG 1 6.348 -0.136 1.398 0.00 0.00 +0.120 A ATOM 22 C LIG 1 5.636 -1.335 1.424 0.00 0.00 +0.046 A ATOM 23 C LIG 1 4.305 -1.384 0.996 0.00 0.00 +0.012 A ATOM 24 C LIG 1 3.654 -0.232 0.530 0.00 0.00 -0.018 A ATOM 25 C LIG 1 4.383 0.967 0.509 0.00 0.00 +0.012 A ATOM 26 C LIG 1 5.717 1.018 0.939 0.00 0.00 +0.046 A BRANCH 21 28 ATOM 27 C LIG 1 8.411 0.967 1.822 0.00 0.00 +0.277 C ATOM 28 O LIG 1 7.638 -0.226 1.844 0.00 0.00 -0.495 OA ENDBRANCH 21 28 ENDBRANCH 15 24 ENDBRANCH 1 18 BRANCH 13 29 ATOM 29 C LIG 1 -3.567 -1.685 -4.216 0.00 0.00 +0.355 C ATOM 30 O LIG 1 -4.628 -1.825 -4.796 0.00 0.00 -0.243 OA BRANCH 29 31 ATOM 31 OXT LIG 1 -2.369 -2.111 -4.689 0.00 0.00 -0.476 OA ATOM 32 HXT LIG 1 -1.673 -1.883 -4.027 0.00 0.00 +0.295 HD ENDBRANCH 29 31 ENDBRANCH 13 29 TORSDOF 5