REMARK Name = BDB022315 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.457 -1.151 -0.603 0.00 0.00 +0.042 A ATOM 2 C LIG 1 0.558 -0.084 -0.383 0.00 0.00 +0.021 A ATOM 3 C LIG 1 1.925 -0.350 -0.605 0.00 0.00 +0.054 A ATOM 4 C LIG 1 2.853 0.685 -0.410 0.00 0.00 +0.028 A ATOM 5 C LIG 1 2.449 1.954 0.019 0.00 0.00 +0.025 A ATOM 6 C LIG 1 1.107 2.232 0.267 0.00 0.00 +0.032 A ATOM 7 N LIG 1 2.336 -1.663 -1.000 0.00 0.00 -0.308 N ATOM 8 C LIG 1 1.416 -2.690 -1.151 0.00 0.00 +0.254 A ATOM 9 O LIG 1 1.704 -3.844 -1.466 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 0.182 1.202 0.071 0.00 0.00 +0.035 A ATOM 11 C LIG 1 -0.006 -2.368 -0.935 0.00 0.00 +0.093 A ENDROOT BRANCH 1 12 ATOM 12 N LIG 1 -1.799 -0.829 -0.443 0.00 0.00 -0.334 N ATOM 13 H LIG 1 -2.028 0.139 -0.682 0.00 0.00 +0.147 HD BRANCH 12 15 ATOM 14 C LIG 1 -3.303 -2.502 0.516 0.00 0.00 +0.036 C ATOM 15 C LIG 1 -2.972 -1.677 -0.726 0.00 0.00 +0.135 C BRANCH 15 16 ATOM 16 C LIG 1 -4.183 -0.818 -1.118 0.00 0.00 +0.149 A ATOM 17 N LIG 1 -5.275 -1.447 -1.603 0.00 0.00 -0.238 NA ATOM 18 C LIG 1 -6.316 -0.665 -1.945 0.00 0.00 +0.114 A ATOM 19 C LIG 1 -6.311 0.705 -1.826 0.00 0.00 +0.039 A ATOM 20 C LIG 1 -5.155 1.254 -1.327 0.00 0.00 +0.114 A ATOM 21 N LIG 1 -4.080 0.527 -0.970 0.00 0.00 -0.238 NA ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 1 12 BRANCH 6 22 ATOM 22 N LIG 1 0.755 3.505 0.758 0.00 0.00 -0.313 N ATOM 23 H LIG 1 1.386 4.235 0.434 0.00 0.00 +0.152 HD BRANCH 22 24 ATOM 24 C LIG 1 -0.397 3.954 1.446 0.00 0.00 +0.053 A ATOM 25 C LIG 1 -0.932 5.236 1.220 0.00 0.00 +0.110 A ATOM 26 C LIG 1 -2.097 5.586 1.892 0.00 0.00 +0.148 A ATOM 27 CL LIG 1 -2.867 7.117 1.707 0.00 0.00 -0.061 Cl ATOM 28 N LIG 1 -2.757 4.779 2.752 0.00 0.00 -0.242 NA ATOM 29 C LIG 1 -2.229 3.558 2.957 0.00 0.00 +0.114 A ATOM 30 C LIG 1 -1.074 3.111 2.337 0.00 0.00 +0.044 A BRANCH 25 31 ATOM 31 C LIG 1 -0.304 6.150 0.321 0.00 0.00 +0.104 C ATOM 32 N LIG 1 0.255 6.860 -0.407 0.00 0.00 -0.191 NA ENDBRANCH 25 31 ENDBRANCH 22 24 ENDBRANCH 6 22 BRANCH 7 33 ATOM 33 C LIG 1 3.744 -1.987 -1.233 0.00 0.00 +0.129 C BRANCH 33 34 ATOM 34 C LIG 1 4.398 -2.294 0.108 0.00 0.00 +0.009 C ATOM 35 C LIG 1 4.099 -3.665 0.778 0.00 0.00 +0.005 C ATOM 36 C LIG 1 5.573 -3.679 1.233 0.00 0.00 +0.001 C ATOM 37 C LIG 1 5.875 -2.768 0.026 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 8