REMARK Name = BDB011030 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.013 -0.687 1.498 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.969 0.164 1.118 0.00 0.00 +0.020 A ATOM 3 C LIG 1 1.641 -0.284 1.145 0.00 0.00 +0.066 A ATOM 4 C LIG 1 1.331 -1.585 1.547 0.00 0.00 +0.090 A ATOM 5 N LIG 1 0.008 -2.037 1.580 0.00 0.00 -0.236 NA ATOM 6 C LIG 1 -0.927 -1.212 1.243 0.00 0.00 +0.209 A ATOM 7 N LIG 1 -0.752 0.085 0.823 0.00 0.00 -0.251 N ATOM 8 C LIG 1 2.368 -2.449 1.933 0.00 0.00 +0.081 A ATOM 9 C LIG 1 0.537 0.614 0.728 0.00 0.00 +0.267 A ATOM 10 O LIG 1 0.852 1.713 0.278 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 3.701 -1.990 1.909 0.00 0.00 +0.019 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -1.881 0.905 0.501 0.00 0.00 +0.142 A ATOM 13 N LIG 1 -1.784 2.237 0.680 0.00 0.00 -0.237 NA ATOM 14 C LIG 1 -2.848 3.011 0.398 0.00 0.00 +0.113 A ATOM 15 C LIG 1 -4.052 2.513 -0.061 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -4.209 1.134 -0.264 0.00 0.00 -0.029 A ATOM 17 C LIG 1 -3.078 0.343 0.034 0.00 0.00 +0.051 A BRANCH 16 18 ATOM 18 C LIG 1 -5.598 0.535 -0.814 0.00 0.00 +0.057 C ATOM 19 C LIG 1 -6.015 1.010 -2.253 0.00 0.00 +0.026 C ATOM 20 C LIG 1 -6.518 -0.368 -2.451 0.00 0.00 -0.027 C ATOM 21 C LIG 1 -6.884 -1.010 -3.747 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -7.940 -0.758 -2.702 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -5.634 -0.919 -1.399 0.00 0.00 +0.026 C BRANCH 18 24 ATOM 24 C LIG 1 -6.740 0.806 0.266 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -6.979 0.137 1.435 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -6.275 -0.987 1.986 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -8.038 0.765 2.018 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -8.422 1.768 1.265 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -7.599 1.801 0.166 0.00 0.00 -0.134 NA ENDBRANCH 18 24 ENDBRANCH 16 18 ENDBRANCH 7 12 BRANCH 8 30 ATOM 30 C LIG 1 2.059 -3.857 2.372 0.00 0.00 +0.419 C ATOM 31 F LIG 1 3.182 -4.561 2.709 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.261 -3.919 3.475 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.450 -4.604 1.409 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 1 34 ATOM 34 C LIG 1 5.448 -0.200 1.475 0.00 0.00 +0.119 C BRANCH 34 38 ATOM 35 C LIG 1 8.869 2.337 -1.030 0.00 0.00 +0.009 C ATOM 36 C LIG 1 7.757 1.293 -1.113 0.00 0.00 +0.000 C ATOM 37 C LIG 1 7.048 1.123 0.237 0.00 0.00 +0.088 C ATOM 38 N LIG 1 5.880 0.234 0.141 0.00 0.00 -0.298 NA ATOM 39 C LIG 1 6.052 -0.873 -0.809 0.00 0.00 +0.085 C ATOM 40 C LIG 1 7.511 -1.242 -1.066 0.00 0.00 +0.016 C ATOM 41 C LIG 1 8.308 -0.054 -1.606 0.00 0.00 +0.006 C ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 6