REMARK Name = BDB032743 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.590 0.785 -2.562 0.00 0.00 -0.010 A ATOM 2 C LIG 1 -2.118 -0.144 -1.655 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -3.114 0.289 -0.798 0.00 0.00 +0.042 A ATOM 4 C LIG 1 -3.844 -0.462 0.228 0.00 0.00 +0.248 C ATOM 5 N LIG 1 -4.803 0.395 0.754 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -4.630 1.760 0.263 0.00 0.00 +0.144 C ATOM 7 O LIG 1 -3.619 -1.615 0.538 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.591 1.598 -0.795 0.00 0.00 -0.018 A ATOM 9 C LIG 1 -3.071 2.531 -1.672 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -2.068 2.118 -2.558 0.00 0.00 +0.007 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.602 0.051 1.934 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.431 1.232 2.465 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -5.926 2.199 3.034 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.767 1.248 2.140 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -8.272 2.079 2.417 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.399 0.462 1.211 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -9.501 0.776 0.769 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.644 -0.748 0.715 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.538 -1.138 1.684 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 C LIG 1 -0.490 0.380 -3.511 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 0.762 0.878 -3.025 0.00 0.00 -0.445 OA BRANCH 21 24 ATOM 22 N LIG 1 2.650 0.642 -1.920 0.00 0.00 -0.251 N ATOM 23 H LIG 1 2.683 1.610 -2.209 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 1.518 -0.007 -2.324 0.00 0.00 +0.405 C ATOM 25 O LIG 1 1.204 -1.168 -2.119 0.00 0.00 -0.226 OA BRANCH 22 29 ATOM 26 C LIG 1 5.970 -0.722 0.386 0.00 0.00 -0.037 A ATOM 27 C LIG 1 5.867 0.591 -0.113 0.00 0.00 +0.006 A ATOM 28 C LIG 1 4.767 1.018 -0.868 0.00 0.00 +0.024 A ATOM 29 C LIG 1 3.722 0.141 -1.161 0.00 0.00 +0.036 A ATOM 30 C LIG 1 3.800 -1.167 -0.694 0.00 0.00 +0.024 A ATOM 31 C LIG 1 4.905 -1.585 0.062 0.00 0.00 +0.006 A BRANCH 26 33 ATOM 32 C LIG 1 8.295 -1.797 0.315 0.00 0.00 +0.021 C ATOM 33 C LIG 1 7.225 -1.211 1.244 0.00 0.00 +0.040 C ATOM 34 C LIG 1 7.814 -0.242 2.302 0.00 0.00 +0.173 C ATOM 35 O LIG 1 7.876 -1.304 3.290 0.00 0.00 -0.378 OA ATOM 36 C LIG 1 6.962 -2.099 2.489 0.00 0.00 +0.173 C ENDBRANCH 26 33 ENDBRANCH 22 29 ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 6