REMARK Name = BDB049370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.857 -1.252 -0.180 0.00 0.00 +0.111 A ATOM 2 N LIG 1 -1.797 -0.285 0.111 0.00 0.00 -0.326 N ATOM 3 C LIG 1 -3.007 -0.911 0.315 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -2.727 -2.261 0.137 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -3.751 -3.209 0.275 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -5.046 -2.769 0.588 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -5.301 -1.401 0.762 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -4.289 -0.442 0.628 0.00 0.00 +0.028 A ATOM 9 N LIG 1 -1.404 -2.451 -0.164 0.00 0.00 -0.232 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -6.111 -3.736 0.744 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -7.278 -3.754 0.012 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -7.840 -2.925 -1.072 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -8.044 -4.802 0.418 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -7.389 -5.500 1.414 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -6.228 -4.861 1.604 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -5.268 -5.354 2.619 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 C LIG 1 0.583 -0.978 -0.472 0.00 0.00 +0.079 C BRANCH 17 18 ATOM 18 C LIG 1 1.429 -1.057 0.799 0.00 0.00 +0.043 C BRANCH 18 22 ATOM 19 C LIG 1 5.560 -0.086 -0.034 0.00 0.00 +0.121 A ATOM 20 C LIG 1 4.670 0.912 0.364 0.00 0.00 +0.046 A ATOM 21 C LIG 1 3.335 0.596 0.640 0.00 0.00 +0.007 A ATOM 22 C LIG 1 2.874 -0.721 0.525 0.00 0.00 -0.047 A ATOM 23 C LIG 1 3.768 -1.718 0.119 0.00 0.00 +0.007 A ATOM 24 C LIG 1 5.100 -1.399 -0.156 0.00 0.00 +0.046 A BRANCH 19 25 ATOM 25 O LIG 1 6.882 0.085 -0.334 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 7.425 1.394 -0.166 0.00 0.00 +0.229 C BRANCH 26 27 ATOM 27 C LIG 1 8.914 1.362 -0.513 0.00 0.00 +0.041 C BRANCH 27 29 ATOM 28 C LIG 1 9.752 0.700 1.805 0.00 0.00 +0.004 C ATOM 29 C LIG 1 9.739 0.376 0.319 0.00 0.00 -0.000 C ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 19 25 ENDBRANCH 18 22 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 30 ATOM 30 C LIG 1 -1.572 1.148 0.194 0.00 0.00 +0.139 C BRANCH 30 31 ATOM 31 C LIG 1 -1.833 1.844 -1.149 0.00 0.00 +0.106 C BRANCH 31 32 ATOM 32 N LIG 1 -1.518 3.284 -1.126 0.00 0.00 -0.296 NA ATOM 33 C LIG 1 -1.588 3.878 -2.482 0.00 0.00 +0.112 C ATOM 34 C LIG 1 -2.912 4.604 -2.766 0.00 0.00 +0.175 C ATOM 35 O LIG 1 -3.178 5.677 -1.853 0.00 0.00 -0.377 OA ATOM 36 C LIG 1 -2.534 5.509 -0.583 0.00 0.00 +0.175 C ATOM 37 C LIG 1 -2.393 4.030 -0.191 0.00 0.00 +0.112 C ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 11