REMARK Name = BDB038965 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.823 1.052 -1.220 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -5.712 1.480 -0.516 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -4.570 0.575 -0.457 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -3.303 1.192 0.078 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.260 2.526 0.546 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -2.064 3.080 1.019 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.884 2.332 1.076 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.940 1.005 0.633 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.001 -0.012 0.550 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.627 -1.117 -0.002 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -1.901 -0.859 -0.229 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -4.502 3.379 0.476 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -2.111 0.440 0.143 0.00 0.00 +0.094 A ATOM 14 C LIG 1 -5.771 2.531 0.491 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -6.850 0.040 -1.911 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 0.007 -2.446 -0.307 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.161 -2.808 -1.798 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -0.149 -4.316 -2.066 0.00 0.00 +0.001 C ATOM 19 C LIG 1 0.675 -5.074 -1.034 0.00 0.00 +0.000 C ATOM 20 C LIG 1 0.128 -4.885 0.381 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -0.578 -3.543 0.592 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 -9.056 1.474 -1.786 0.00 0.00 +0.282 C ATOM 23 O LIG 1 -7.893 1.881 -1.066 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 1.394 0.127 0.985 0.00 0.00 +0.086 C ATOM 25 C LIG 1 1.771 -0.864 2.090 0.00 0.00 +0.031 C BRANCH 24 26 ATOM 26 C LIG 1 2.365 0.158 -0.215 0.00 0.00 +0.028 C BRANCH 26 27 ATOM 27 C LIG 1 3.827 0.501 0.140 0.00 0.00 -0.009 C ATOM 28 C LIG 1 3.959 1.892 0.789 0.00 0.00 +0.004 C ATOM 29 C LIG 1 5.235 2.650 0.411 0.00 0.00 +0.015 C ATOM 30 C LIG 1 6.457 1.755 0.213 0.00 0.00 +0.098 C ATOM 31 C LIG 1 6.199 0.582 -0.744 0.00 0.00 +0.015 C ATOM 32 C LIG 1 4.723 0.385 -1.098 0.00 0.00 +0.004 C BRANCH 30 33 ATOM 33 C LIG 1 7.020 1.332 1.555 0.00 0.00 +0.308 C ATOM 34 O LIG 1 7.909 1.908 2.163 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 6.417 0.263 2.103 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 6.885 0.145 2.956 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 TORSDOF 7