REMARK Name = BDB010893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.458 -0.484 -0.529 0.00 0.00 +0.142 A ATOM 2 N LIG 1 -0.410 0.261 -0.001 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.740 1.599 -0.120 0.00 0.00 +0.114 A ATOM 4 C LIG 1 -1.954 1.589 -0.790 0.00 0.00 +0.183 A ATOM 5 N LIG 1 -2.634 2.688 -1.149 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.022 3.816 -0.796 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -0.848 3.947 -0.133 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 -0.185 2.825 0.232 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -2.381 0.322 -1.022 0.00 0.00 -0.210 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.686 5.090 -1.153 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -2.106 6.250 -0.800 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.242 6.374 -0.301 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -2.904 7.233 -1.236 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -2.705 8.429 -1.098 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -3.985 6.669 -1.865 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.802 5.250 -1.787 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 1.037 3.030 0.986 0.00 0.00 +0.022 A ATOM 18 C LIG 1 1.089 2.845 2.374 0.00 0.00 +0.033 A ATOM 19 C LIG 1 2.280 3.069 3.059 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 2.368 2.821 4.755 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 3.389 3.484 2.341 0.00 0.00 +0.130 A ATOM 22 N LIG 1 3.379 3.690 1.003 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 2.204 3.475 0.364 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 C LIG 1 -1.534 -1.998 -0.555 0.00 0.00 +0.187 C BRANCH 24 25 ATOM 25 C LIG 1 -2.586 -2.581 0.417 0.00 0.00 +0.030 C ATOM 26 C LIG 1 -2.270 -2.273 1.889 0.00 0.00 +0.034 C ATOM 27 C LIG 1 -3.324 -2.893 2.799 0.00 0.00 +0.160 C ATOM 28 O LIG 1 -4.625 -2.431 2.450 0.00 0.00 -0.380 OA ATOM 29 C LIG 1 -4.994 -2.794 1.118 0.00 0.00 +0.160 C ATOM 30 C LIG 1 -4.037 -2.178 0.103 0.00 0.00 +0.034 C ENDBRANCH 24 25 BRANCH 24 32 ATOM 31 C LIG 1 -1.412 -3.654 -2.280 0.00 0.00 +0.195 C ATOM 32 O LIG 1 -1.826 -2.347 -1.914 0.00 0.00 -0.372 OA ENDBRANCH 24 32 ENDBRANCH 1 24 BRANCH 2 33 ATOM 33 C LIG 1 0.805 -0.273 0.593 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 2.049 -0.205 -0.316 0.00 0.00 +0.009 C ATOM 35 C LIG 1 1.974 -1.143 -1.539 0.00 0.00 +0.005 C ATOM 36 C LIG 1 2.599 -2.506 -1.259 0.00 0.00 +0.003 C ATOM 37 C LIG 1 4.094 -2.394 -0.906 0.00 0.00 -0.014 C ATOM 38 C LIG 1 4.978 -2.679 -2.120 0.00 0.00 +0.007 C ATOM 39 C LIG 1 4.454 -1.026 -0.299 0.00 0.00 +0.003 C ATOM 40 C LIG 1 3.307 -0.475 0.537 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 7