REMARK Name = BDB031708 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.098 1.252 -2.199 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.409 2.432 -1.862 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.098 2.330 -1.380 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.435 1.120 -1.224 0.00 0.00 +0.041 A ATOM 5 C LIG 1 0.853 1.465 -0.705 0.00 0.00 +0.153 A ATOM 6 N LIG 1 0.983 2.790 -0.590 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -1.111 -0.062 -1.577 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.202 3.278 -0.974 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.334 4.282 -0.945 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.425 0.026 -2.063 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.045 -0.696 1.582 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.875 0.172 0.493 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.604 -0.038 -0.668 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.677 0.677 -1.988 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.512 1.297 -2.732 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.731 -0.085 -2.759 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.158 -1.122 -1.948 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.868 -1.778 -2.232 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -7.114 0.183 -3.885 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.564 2.171 -2.080 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.509 -1.108 -0.712 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.705 -1.980 0.339 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.956 -1.766 1.500 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.373 -1.247 3.800 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.269 -0.392 2.668 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 1.799 0.528 -0.442 0.00 0.00 -0.282 N ATOM 27 H LIG 1 1.532 -0.439 -0.561 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 2.873 0.623 0.473 0.00 0.00 +0.129 A ATOM 29 N LIG 1 2.861 1.518 1.470 0.00 0.00 -0.220 NA ATOM 30 C LIG 1 3.923 1.534 2.280 0.00 0.00 +0.225 A ATOM 31 N LIG 1 4.993 0.736 2.199 0.00 0.00 -0.221 NA ATOM 32 C LIG 1 5.002 -0.148 1.189 0.00 0.00 +0.126 A ATOM 33 C LIG 1 3.943 -0.240 0.302 0.00 0.00 +0.087 A BRANCH 32 34 ATOM 34 N LIG 1 6.105 -1.015 1.063 0.00 0.00 -0.310 N ATOM 35 C LIG 1 7.398 -0.760 1.637 0.00 0.00 +0.139 C ATOM 36 C LIG 1 7.958 -1.796 0.643 0.00 0.00 +0.152 C ATOM 37 C LIG 1 6.678 -1.497 -0.163 0.00 0.00 +0.139 C BRANCH 36 38 ATOM 38 O LIG 1 9.211 -1.489 -0.014 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 10.372 -1.613 0.794 0.00 0.00 +0.194 C ENDBRANCH 36 38 ENDBRANCH 32 34 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6