REMARK Name = BDB053751 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.902 -0.607 0.877 0.00 0.00 +0.221 A ATOM 2 N LIG 1 -1.246 -1.940 0.625 0.00 0.00 -0.278 N ATOM 3 C LIG 1 -0.078 -2.677 0.429 0.00 0.00 +0.076 A ATOM 4 C LIG 1 0.991 -1.793 0.551 0.00 0.00 +0.105 A ATOM 5 N LIG 1 2.291 -2.164 0.410 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 2.496 -3.479 0.194 0.00 0.00 +0.111 A ATOM 7 C LIG 1 1.503 -4.436 0.105 0.00 0.00 +0.022 A ATOM 8 C LIG 1 0.174 -4.045 0.232 0.00 0.00 +0.030 A ATOM 9 C LIG 1 0.485 -0.512 0.860 0.00 0.00 +0.125 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 1.278 0.657 1.183 0.00 0.00 +0.254 C ATOM 11 N LIG 1 2.036 1.232 0.166 0.00 0.00 -0.295 N ATOM 12 C LIG 1 1.931 0.925 -1.262 0.00 0.00 +0.129 C ATOM 13 CA LIG 1 3.298 0.981 -1.997 0.00 0.00 +0.097 C ATOM 14 N LIG 1 4.241 2.022 -1.501 0.00 0.00 -0.308 NA ATOM 15 H LIG 1 4.893 1.532 -0.875 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 3.541 3.035 -0.699 0.00 0.00 +0.100 C ATOM 17 C LIG 1 2.805 2.427 0.505 0.00 0.00 +0.123 C ATOM 18 O LIG 1 1.294 1.097 2.332 0.00 0.00 -0.270 OA BRANCH 13 19 ATOM 19 C LIG 1 4.009 -0.391 -1.961 0.00 0.00 +0.176 C BRANCH 19 20 ATOM 20 O LIG 1 4.509 -0.688 -0.658 0.00 0.00 -0.393 OA ATOM 21 H LIG 1 3.738 -0.952 -0.110 0.00 0.00 +0.209 HD ENDBRANCH 19 20 ENDBRANCH 13 19 ENDBRANCH 9 10 BRANCH 2 22 ATOM 22 C LIG 1 -2.582 -2.449 0.540 0.00 0.00 +0.050 A ATOM 23 C LIG 1 -3.580 -1.965 1.397 0.00 0.00 +0.026 A ATOM 24 C LIG 1 -4.884 -2.457 1.307 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -5.202 -3.428 0.360 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.218 -3.906 -0.503 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -2.911 -3.419 -0.416 0.00 0.00 +0.026 A ENDBRANCH 2 22 BRANCH 1 28 ATOM 28 O LIG 1 -1.868 0.313 1.033 0.00 0.00 -0.438 OA BRANCH 28 31 ATOM 29 C LIG 1 -1.998 0.834 -1.812 0.00 0.00 +0.047 C ATOM 30 C LIG 1 -1.732 1.896 -0.784 0.00 0.00 -0.008 A ATOM 31 C LIG 1 -1.677 1.603 0.592 0.00 0.00 +0.136 A ATOM 32 C LIG 1 -1.510 2.622 1.544 0.00 0.00 -0.008 A ATOM 33 C LIG 1 -1.574 2.350 3.021 0.00 0.00 +0.047 C ATOM 34 C LIG 1 -1.333 3.939 1.099 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -1.325 4.233 -0.263 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -1.528 3.219 -1.199 0.00 0.00 +0.007 A ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 6