REMARK Name = BDB014909 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.309 0.592 -0.596 0.00 0.00 -0.279 N ENDROOT BRANCH 1 7 ATOM 2 C LIG 1 -3.194 3.537 4.949 0.00 0.00 +0.109 C ATOM 3 C LIG 1 -2.395 3.314 3.691 0.00 0.00 +0.213 C ATOM 4 N LIG 1 -2.210 2.003 3.276 0.00 0.00 -0.297 N ATOM 5 C LIG 1 -1.337 1.814 2.100 0.00 0.00 +0.148 C ATOM 6 C LIG 1 -1.569 0.476 1.499 0.00 0.00 +0.033 A ATOM 7 C LIG 1 -1.098 -0.086 0.287 0.00 0.00 +0.153 A ATOM 8 N LIG 1 -1.521 -1.349 0.150 0.00 0.00 -0.155 NA ATOM 9 N LIG 1 -2.276 -1.588 1.241 0.00 0.00 -0.261 N ATOM 10 C LIG 1 -2.312 -0.523 2.090 0.00 0.00 +0.048 A ATOM 11 C LIG 1 -3.015 -0.387 3.388 0.00 0.00 +0.074 C ATOM 12 C LIG 1 -2.432 0.827 4.146 0.00 0.00 +0.114 C ATOM 13 O LIG 1 -1.948 4.277 3.066 0.00 0.00 -0.276 OA BRANCH 9 14 ATOM 14 C LIG 1 -2.938 -2.860 1.386 0.00 0.00 +0.135 C ATOM 15 C LIG 1 -2.014 -4.063 1.349 0.00 0.00 +0.186 C ATOM 16 O LIG 1 -2.845 -5.193 1.028 0.00 0.00 -0.378 OA ATOM 17 C LIG 1 -4.064 -4.702 0.450 0.00 0.00 +0.162 C ATOM 18 C LIG 1 -3.923 -3.202 0.287 0.00 0.00 +0.057 C ENDBRANCH 9 14 ENDBRANCH 1 7 BRANCH 1 19 ATOM 19 C LIG 1 1.090 0.412 -0.732 0.00 0.00 +0.036 A ATOM 20 C LIG 1 1.757 -0.596 -0.012 0.00 0.00 +0.024 A ATOM 21 C LIG 1 3.143 -0.794 -0.106 0.00 0.00 +0.010 A ATOM 22 C LIG 1 3.924 0.020 -0.926 0.00 0.00 -0.015 A ATOM 23 C LIG 1 3.284 1.027 -1.651 0.00 0.00 +0.010 A ATOM 24 C LIG 1 1.896 1.217 -1.553 0.00 0.00 +0.024 A BRANCH 22 25 ATOM 25 C LIG 1 5.359 -0.191 -1.022 0.00 0.00 +0.020 A ATOM 26 C LIG 1 6.293 0.781 -1.318 0.00 0.00 +0.116 A ATOM 27 N LIG 1 7.511 0.166 -1.291 0.00 0.00 -0.274 N ATOM 28 C LIG 1 8.796 0.773 -1.538 0.00 0.00 +0.172 C ATOM 29 N LIG 1 7.445 -1.143 -0.993 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 6.136 -1.358 -0.830 0.00 0.00 +0.142 A ENDBRANCH 22 25 ENDBRANCH 1 19 BRANCH 1 31 ATOM 31 C LIG 1 -1.009 1.579 -1.441 0.00 0.00 +0.147 C BRANCH 31 32 ATOM 32 C LIG 1 -1.099 1.206 -2.911 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -1.290 -0.118 -3.330 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -1.407 -0.427 -4.687 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -1.351 0.585 -5.642 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.178 1.908 -5.241 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -1.059 2.218 -3.885 0.00 0.00 +0.005 A ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 6