REMARK Name = BDB022985 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.405 -0.284 -2.830 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -0.937 -0.053 -2.477 0.00 0.00 +0.076 C ATOM 3 N LIG 1 -0.773 0.566 -1.136 0.00 0.00 -0.310 N ATOM 4 C LIG 1 0.646 0.949 -0.909 0.00 0.00 +0.162 C ATOM 5 C LIG 1 1.648 -0.122 -1.291 0.00 0.00 +0.067 A ATOM 6 C LIG 1 1.287 -1.169 -2.119 0.00 0.00 -0.005 A ATOM 7 C LIG 1 2.291 -2.065 -2.408 0.00 0.00 +0.120 A ATOM 8 N LIG 1 3.555 -1.938 -1.966 0.00 0.00 -0.223 NA ATOM 9 C LIG 1 3.823 -0.880 -1.193 0.00 0.00 +0.216 A ATOM 10 N LIG 1 2.914 0.038 -0.837 0.00 0.00 -0.218 NA ATOM 11 C LIG 1 -0.114 -1.347 -2.616 0.00 0.00 +0.060 C ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 -1.419 0.015 -0.040 0.00 0.00 +0.094 C ATOM 13 N LIG 1 -1.340 -1.257 0.201 0.00 0.00 -0.289 NA ATOM 14 H LIG 1 -1.873 -1.500 1.045 0.00 0.00 +0.188 HD BRANCH 12 15 ATOM 15 C LIG 1 -2.253 0.913 0.903 0.00 0.00 +0.062 C ATOM 16 C LIG 1 -3.765 0.635 0.667 0.00 0.00 +0.043 C ATOM 17 C LIG 1 -4.618 1.903 0.889 0.00 0.00 +0.093 C ATOM 18 N LIG 1 -4.233 3.050 0.054 0.00 0.00 -0.305 NA ATOM 19 C LIG 1 -5.053 3.156 -1.150 0.00 0.00 +0.104 C ATOM 20 C LIG 1 -2.804 3.086 -0.280 0.00 0.00 +0.085 C ATOM 21 C LIG 1 -1.942 2.416 0.789 0.00 0.00 +0.027 C BRANCH 16 22 ATOM 22 C LIG 1 -4.281 -0.520 1.520 0.00 0.00 -0.042 A ATOM 23 C LIG 1 -4.315 -0.445 2.921 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -4.781 -1.519 3.680 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -5.216 -2.683 3.051 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -5.186 -2.773 1.662 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -4.723 -1.699 0.901 0.00 0.00 +0.004 A ENDBRANCH 16 22 ENDBRANCH 12 15 ENDBRANCH 3 12 BRANCH 9 28 ATOM 28 N LIG 1 5.136 -0.770 -0.761 0.00 0.00 -0.309 N ATOM 29 H LIG 1 5.554 -1.681 -0.912 0.00 0.00 +0.149 HD BRANCH 28 30 ATOM 30 C LIG 1 5.257 -0.273 0.593 0.00 0.00 +0.139 C BRANCH 30 31 ATOM 31 C LIG 1 6.692 -0.417 1.047 0.00 0.00 -0.030 A ATOM 32 C LIG 1 7.055 -1.396 1.983 0.00 0.00 +0.005 A ATOM 33 C LIG 1 8.384 -1.528 2.390 0.00 0.00 +0.000 A ATOM 34 C LIG 1 9.363 -0.687 1.863 0.00 0.00 +0.000 A ATOM 35 C LIG 1 9.016 0.284 0.925 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.688 0.417 0.517 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 6