REMARK Name = BDB053390 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.084 -0.571 -0.472 0.00 0.00 -0.294 N ATOM 2 C LIG 1 -1.680 0.476 -1.172 0.00 0.00 +0.221 C ATOM 3 O LIG 1 -1.712 0.505 -2.405 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -2.223 1.658 -0.364 0.00 0.00 +0.096 C ATOM 5 C LIG 1 -3.524 2.212 -0.996 0.00 0.00 +0.033 C ATOM 6 C LIG 1 -3.771 3.689 -0.613 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -2.939 4.133 0.588 0.00 0.00 +0.081 C ATOM 8 N LIG 1 -1.505 3.961 0.375 0.00 0.00 -0.315 NA ATOM 9 H LIG 1 -1.013 4.014 1.267 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -1.138 2.741 -0.349 0.00 0.00 +0.094 C BRANCH 5 11 ATOM 11 C LIG 1 -4.711 1.301 -0.691 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -5.283 0.551 -1.649 0.00 0.00 +0.074 A ATOM 13 C LIG 1 -6.417 -0.366 -1.346 0.00 0.00 +0.251 A ATOM 14 O LIG 1 -6.911 -1.032 -2.253 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 -6.829 -0.400 -0.016 0.00 0.00 -0.318 N ATOM 16 C LIG 1 -7.929 -1.269 0.366 0.00 0.00 +0.152 C ATOM 17 C LIG 1 -6.238 0.386 0.954 0.00 0.00 +0.089 A ATOM 18 C LIG 1 -5.225 1.211 0.662 0.00 0.00 +0.022 A ENDBRANCH 5 11 ENDBRANCH 2 4 BRANCH 1 19 ATOM 19 C LIG 1 -1.018 -0.646 0.970 0.00 0.00 +0.077 C ATOM 20 C LIG 1 -2.247 -0.947 1.792 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -1.136 -1.945 1.729 0.00 0.00 +0.024 C ENDBRANCH 1 19 BRANCH 1 22 ATOM 22 C LIG 1 -0.350 -1.584 -1.239 0.00 0.00 +0.143 C BRANCH 22 27 ATOM 23 C LIG 1 3.275 -0.390 -1.071 0.00 0.00 -0.046 A ATOM 24 C LIG 1 3.882 -1.480 -0.431 0.00 0.00 +0.012 A ATOM 25 C LIG 1 3.145 -2.615 -0.058 0.00 0.00 -0.017 A ATOM 26 C LIG 1 1.768 -2.631 -0.333 0.00 0.00 +0.013 A ATOM 27 C LIG 1 1.137 -1.550 -0.966 0.00 0.00 -0.029 A ATOM 28 C LIG 1 1.901 -0.435 -1.334 0.00 0.00 +0.009 A BRANCH 25 29 ATOM 29 C LIG 1 3.792 -3.758 0.606 0.00 0.00 -0.018 A ATOM 30 C LIG 1 3.698 -5.054 0.069 0.00 0.00 +0.008 A ATOM 31 C LIG 1 4.304 -6.143 0.702 0.00 0.00 +0.001 A ATOM 32 C LIG 1 5.011 -5.954 1.886 0.00 0.00 +0.000 A ATOM 33 C LIG 1 5.120 -4.678 2.434 0.00 0.00 +0.001 A ATOM 34 C LIG 1 4.518 -3.589 1.797 0.00 0.00 +0.008 A ENDBRANCH 25 29 BRANCH 23 35 ATOM 35 C LIG 1 4.090 0.825 -1.442 0.00 0.00 +0.037 C BRANCH 35 36 ATOM 36 C LIG 1 4.140 1.833 -0.290 0.00 0.00 +0.033 C BRANCH 36 37 ATOM 37 C LIG 1 4.932 3.083 -0.657 0.00 0.00 +0.160 C BRANCH 37 39 ATOM 38 C LIG 1 7.068 3.855 -1.282 0.00 0.00 +0.193 C ATOM 39 O LIG 1 6.278 2.720 -0.951 0.00 0.00 -0.383 OA ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 23 35 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 10