REMARK Name = BDB027446 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.173 1.499 0.216 0.00 0.00 -0.004 A ATOM 2 C LIG 1 -0.478 1.210 -0.969 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.475 2.216 -1.941 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.084 3.422 -1.829 0.00 0.00 -0.258 NA ATOM 5 C LIG 1 -1.753 3.692 -0.687 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -1.804 2.752 0.344 0.00 0.00 +0.030 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 0.158 -0.032 -1.144 0.00 0.00 -0.326 N ATOM 8 C LIG 1 1.579 -0.016 -0.697 0.00 0.00 +0.133 C ATOM 9 C LIG 1 2.384 -1.288 -1.162 0.00 0.00 +0.075 C ATOM 10 C LIG 1 1.403 -2.460 -1.387 0.00 0.00 +0.031 C ATOM 11 C LIG 1 0.290 -2.134 -2.394 0.00 0.00 +0.021 C ATOM 12 C LIG 1 -0.040 -0.644 -2.469 0.00 0.00 +0.105 C BRANCH 9 13 ATOM 13 C LIG 1 3.479 -1.554 -0.113 0.00 0.00 +0.064 A ATOM 14 N LIG 1 4.484 -0.634 -0.076 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 5.475 -0.824 0.820 0.00 0.00 +0.130 A ATOM 16 CL LIG 1 6.690 0.385 0.804 0.00 0.00 -0.062 Cl ATOM 17 C LIG 1 5.539 -1.886 1.701 0.00 0.00 +0.040 A ATOM 18 C LIG 1 4.511 -2.820 1.661 0.00 0.00 +0.005 A ATOM 19 C LIG 1 3.471 -2.658 0.743 0.00 0.00 +0.025 A ENDBRANCH 9 13 BRANCH 9 20 ATOM 20 N LIG 1 3.046 -1.026 -2.478 0.00 0.00 -0.319 NA ATOM 21 H LIG 1 3.741 -0.290 -2.306 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 3.606 -1.844 -2.719 0.00 0.00 +0.119 HD ENDBRANCH 9 20 ENDBRANCH 2 7 BRANCH 5 23 ATOM 23 C LIG 1 -2.427 5.110 -0.661 0.00 0.00 +0.038 C ATOM 24 C LIG 1 -2.257 6.010 0.598 0.00 0.00 +0.010 C ATOM 25 C LIG 1 -3.682 6.534 0.331 0.00 0.00 +0.001 C ATOM 26 C LIG 1 -3.958 5.204 -0.398 0.00 0.00 +0.010 C ENDBRANCH 5 23 BRANCH 1 27 ATOM 27 C LIG 1 -1.236 0.550 1.390 0.00 0.00 +0.160 C BRANCH 27 32 ATOM 28 C LIG 1 -1.658 -4.322 1.377 0.00 0.00 +0.144 A ATOM 29 C LIG 1 -1.945 -2.974 1.057 0.00 0.00 +0.128 A ATOM 30 N LIG 1 -2.922 -2.443 0.235 0.00 0.00 -0.232 NA ATOM 31 C LIG 1 -2.745 -1.142 0.286 0.00 0.00 +0.200 A ATOM 32 N LIG 1 -1.684 -0.802 1.082 0.00 0.00 -0.325 N ATOM 33 C LIG 1 -1.162 -1.962 1.611 0.00 0.00 +0.074 A ATOM 34 C LIG 1 -0.115 -2.233 2.490 0.00 0.00 +0.048 A ATOM 35 C LIG 1 0.095 -3.582 2.739 0.00 0.00 +0.115 A ATOM 36 N LIG 1 -0.617 -4.600 2.202 0.00 0.00 -0.238 NA BRANCH 28 37 ATOM 37 N LIG 1 -2.384 -5.391 0.863 0.00 0.00 -0.341 N ATOM 38 H LIG 1 -2.885 -5.152 0.016 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 -1.844 -6.245 0.876 0.00 0.00 +0.144 HD ENDBRANCH 28 37 ENDBRANCH 27 32 ENDBRANCH 1 27 TORSDOF 7