REMARK Name = BDB015115 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.232 -3.529 0.113 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.083 -3.032 0.009 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -1.175 -3.897 -0.098 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -0.955 -5.275 -0.104 0.00 0.00 +0.045 A ATOM 5 C LIG 1 0.336 -5.788 0.001 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.422 -4.920 0.110 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 4.517 -0.806 0.359 0.00 0.00 +0.121 A ATOM 8 N LIG 1 3.626 -0.709 -0.650 0.00 0.00 -0.240 NA ATOM 9 C LIG 1 2.597 -1.592 -0.697 0.00 0.00 +0.121 A ATOM 10 C LIG 1 2.376 -2.613 0.221 0.00 0.00 +0.000 A ATOM 11 C LIG 1 3.314 -2.714 1.247 0.00 0.00 +0.013 A ATOM 12 C LIG 1 4.384 -1.816 1.312 0.00 0.00 +0.044 A BRANCH 7 17 ATOM 13 C LIG 1 6.926 4.058 0.385 0.00 0.00 +0.105 C ATOM 14 N LIG 1 7.123 2.633 0.632 0.00 0.00 -0.302 NA ATOM 15 C LIG 1 6.186 2.151 1.669 0.00 0.00 +0.103 C ATOM 16 C LIG 1 6.024 0.613 1.705 0.00 0.00 +0.122 C ATOM 17 N LIG 1 5.583 0.083 0.403 0.00 0.00 -0.313 N ATOM 18 C LIG 1 5.714 0.997 -0.742 0.00 0.00 +0.122 C ATOM 19 C LIG 1 7.004 1.839 -0.612 0.00 0.00 +0.103 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 20 ATOM 20 O LIG 1 -2.489 -3.537 -0.213 0.00 0.00 -0.489 OA BRANCH 20 21 ATOM 21 C LIG 1 -2.839 -2.147 -0.128 0.00 0.00 +0.261 C BRANCH 21 22 ATOM 22 C LIG 1 -2.769 -1.506 -1.522 0.00 0.00 +0.166 C BRANCH 22 23 ATOM 23 O LIG 1 -3.702 -2.141 -2.409 0.00 0.00 -0.387 OA ATOM 24 H LIG 1 -3.599 -3.100 -2.259 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 -2.990 0.024 -1.498 0.00 0.00 +0.119 C BRANCH 25 26 ATOM 26 N LIG 1 -4.086 0.515 -0.635 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -3.996 1.988 -0.519 0.00 0.00 +0.120 C ATOM 28 C LIG 1 -5.152 2.617 0.226 0.00 0.00 -0.030 A ATOM 29 C LIG 1 -6.380 1.945 0.350 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -7.448 2.560 1.016 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -7.308 3.848 1.533 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.099 4.526 1.394 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.521 0.540 -0.175 0.00 0.00 +0.051 C ATOM 34 C LIG 1 -5.027 3.916 0.742 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -5.413 0.158 -1.169 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 8