REMARK Name = BDB019970 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.968 0.198 -1.130 0.00 0.00 -0.027 A ATOM 2 C LIG 1 -2.518 -1.092 -1.107 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -1.707 -2.228 -0.955 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -0.318 -2.054 -0.853 0.00 0.00 +0.013 A ATOM 5 C LIG 1 0.256 -0.776 -0.894 0.00 0.00 -0.033 A ATOM 6 C LIG 1 -0.579 0.343 -1.021 0.00 0.00 +0.010 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.296 -3.571 -0.901 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -2.973 -4.078 0.224 0.00 0.00 +0.151 A ATOM 9 N LIG 1 -3.525 -5.335 0.233 0.00 0.00 -0.250 NA ATOM 10 C LIG 1 -3.396 -6.100 -0.870 0.00 0.00 +0.111 A ATOM 11 C LIG 1 -2.741 -5.686 -2.011 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -2.188 -4.410 -2.023 0.00 0.00 +0.012 A BRANCH 8 13 ATOM 13 C LIG 1 -3.123 -3.233 1.486 0.00 0.00 +0.435 C ATOM 14 F LIG 1 -1.938 -2.759 1.970 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -3.688 -3.907 2.533 0.00 0.00 -0.164 F ATOM 16 F LIG 1 -3.920 -2.138 1.301 0.00 0.00 -0.164 F ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 1 17 ATOM 17 C LIG 1 -2.864 1.415 -1.217 0.00 0.00 +0.159 C BRANCH 17 23 ATOM 18 C LIG 1 -1.889 4.424 2.598 0.00 0.00 +0.152 C ATOM 19 N LIG 1 -2.527 3.433 1.769 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -2.183 3.220 0.431 0.00 0.00 +0.204 A ATOM 21 N LIG 1 -1.346 3.918 -0.250 0.00 0.00 -0.268 NA ATOM 22 H LIG 1 -1.286 3.557 -1.200 0.00 0.00 +0.190 HD ATOM 23 N LIG 1 -2.939 2.101 0.056 0.00 0.00 -0.313 N ATOM 24 C LIG 1 -3.661 1.645 1.157 0.00 0.00 +0.107 A ATOM 25 C LIG 1 -3.405 2.451 2.196 0.00 0.00 +0.106 A ENDBRANCH 17 23 ENDBRANCH 1 17 BRANCH 5 26 ATOM 26 C LIG 1 1.748 -0.593 -0.724 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 2.081 -0.520 0.694 0.00 0.00 -0.305 NA ATOM 28 H LIG 1 1.453 0.149 1.139 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 3.457 -0.144 1.012 0.00 0.00 +0.085 C ATOM 30 C LIG 1 3.844 1.231 0.534 0.00 0.00 -0.027 A ATOM 31 C LIG 1 4.787 1.159 -0.501 0.00 0.00 -0.040 A ATOM 32 C LIG 1 5.264 2.308 -1.111 0.00 0.00 +0.042 A ATOM 33 C LIG 1 4.787 3.534 -0.656 0.00 0.00 +0.124 A ATOM 34 C LIG 1 3.846 3.617 0.377 0.00 0.00 +0.038 A ATOM 35 F LIG 1 5.232 4.662 -1.227 0.00 0.00 -0.205 F ATOM 36 C LIG 1 5.103 -0.261 -0.850 0.00 0.00 +0.037 C ATOM 37 C LIG 1 3.364 2.455 0.982 0.00 0.00 +0.008 A ATOM 38 C LIG 1 4.565 -1.014 0.376 0.00 0.00 +0.028 C ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 7