REMARK Name = BDB020147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.067 -0.450 -0.746 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.439 -1.753 -0.754 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.553 -2.076 0.027 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.164 -1.083 0.808 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -1.676 0.233 0.808 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.560 0.542 0.014 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.099 -3.445 0.012 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.085 -3.931 -0.960 0.00 0.00 -0.036 A ATOM 9 C LIG 1 -3.578 -2.991 -2.023 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -3.530 -5.199 -0.888 0.00 0.00 +0.074 A ATOM 11 C LIG 1 -3.031 -6.115 0.166 0.00 0.00 +0.249 A ATOM 12 O LIG 1 -3.429 -7.271 0.248 0.00 0.00 -0.268 OA ATOM 13 N LIG 1 -2.108 -5.582 1.029 0.00 0.00 -0.329 N ATOM 14 H LIG 1 -1.765 -6.208 1.747 0.00 0.00 +0.168 HD ATOM 15 C LIG 1 -1.653 -4.290 0.961 0.00 0.00 +0.094 A ENDBRANCH 3 7 BRANCH 1 18 ATOM 16 N LIG 1 2.296 0.552 -1.108 0.00 0.00 -0.307 N ATOM 17 H LIG 1 3.034 0.699 -1.788 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 1.226 -0.141 -1.611 0.00 0.00 +0.244 C ATOM 19 O LIG 1 1.234 -0.534 -2.774 0.00 0.00 -0.270 OA BRANCH 16 20 ATOM 20 C LIG 1 2.590 0.850 0.278 0.00 0.00 +0.139 C BRANCH 20 27 ATOM 21 C LIG 1 7.297 -0.873 0.753 0.00 0.00 +0.045 C ATOM 22 C LIG 1 6.352 0.294 0.688 0.00 0.00 -0.032 A ATOM 23 C LIG 1 6.803 1.619 0.773 0.00 0.00 +0.044 A ATOM 24 CL LIG 1 8.479 1.994 0.965 0.00 0.00 -0.083 Cl ATOM 25 C LIG 1 5.901 2.683 0.700 0.00 0.00 +0.020 A ATOM 26 C LIG 1 4.536 2.438 0.544 0.00 0.00 +0.006 A ATOM 27 C LIG 1 4.059 1.125 0.468 0.00 0.00 -0.030 A ATOM 28 C LIG 1 4.975 0.062 0.532 0.00 0.00 +0.010 A ENDBRANCH 20 27 ENDBRANCH 16 20 ENDBRANCH 1 18 BRANCH 5 29 ATOM 29 C LIG 1 -2.350 1.312 1.629 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 N LIG 1 -3.023 2.272 0.784 0.00 0.00 -0.313 N ATOM 31 C LIG 1 -2.470 3.500 0.415 0.00 0.00 +0.204 A ATOM 32 N LIG 1 -1.329 3.969 0.776 0.00 0.00 -0.268 NA ATOM 33 H LIG 1 -1.202 4.887 0.347 0.00 0.00 +0.190 HD ATOM 34 N LIG 1 -3.429 4.070 -0.431 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -3.260 5.300 -1.163 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -4.489 3.186 -0.591 0.00 0.00 +0.106 A ATOM 37 C LIG 1 -4.246 2.096 0.151 0.00 0.00 +0.107 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 6