REMARK Name = BDB063454 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.671 -0.478 -1.241 0.00 0.00 +0.130 A ATOM 2 N LIG 1 -0.730 -1.422 -1.455 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 0.559 -1.122 -1.224 0.00 0.00 +0.221 A ATOM 4 N LIG 1 0.972 0.080 -0.800 0.00 0.00 -0.223 NA ATOM 5 C LIG 1 0.026 1.014 -0.613 0.00 0.00 +0.118 A ATOM 6 C LIG 1 -1.309 0.789 -0.823 0.00 0.00 +0.064 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -3.043 -0.759 -1.497 0.00 0.00 -0.288 N ATOM 8 C LIG 1 -3.275 -2.142 -1.934 0.00 0.00 +0.137 C BRANCH 7 16 ATOM 9 C LIG 1 -8.671 1.586 1.379 0.00 0.00 +0.066 C ATOM 10 C LIG 1 -7.281 1.087 1.521 0.00 0.00 +0.044 A ATOM 11 N LIG 1 -6.646 0.970 2.735 0.00 0.00 -0.270 N ATOM 12 C LIG 1 -7.195 1.293 4.033 0.00 0.00 +0.172 C ATOM 13 N LIG 1 -5.387 0.491 2.665 0.00 0.00 -0.171 NA ATOM 14 C LIG 1 -5.166 0.288 1.357 0.00 0.00 +0.095 A ATOM 15 C LIG 1 -4.020 -0.199 0.707 0.00 0.00 +0.053 A ATOM 16 C LIG 1 -4.136 -0.281 -0.705 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -5.343 0.103 -1.394 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -6.508 0.593 -0.766 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -6.343 0.658 0.613 0.00 0.00 +0.023 A ENDBRANCH 7 16 ENDBRANCH 1 7 BRANCH 3 20 ATOM 20 N LIG 1 1.448 -2.167 -1.463 0.00 0.00 -0.284 N ATOM 21 H LIG 1 0.924 -2.972 -1.772 0.00 0.00 +0.155 HD BRANCH 20 22 ATOM 22 C LIG 1 2.837 -2.313 -1.366 0.00 0.00 +0.034 A ATOM 23 C LIG 1 3.701 -1.288 -0.958 0.00 0.00 +0.034 A ATOM 24 C LIG 1 5.092 -1.477 -0.871 0.00 0.00 +0.019 A ATOM 25 C LIG 1 5.618 -2.730 -1.209 0.00 0.00 +0.011 A ATOM 26 C LIG 1 4.780 -3.765 -1.618 0.00 0.00 +0.002 A ATOM 27 C LIG 1 3.403 -3.555 -1.693 0.00 0.00 +0.023 A BRANCH 24 28 ATOM 28 C LIG 1 6.007 -0.410 -0.441 0.00 0.00 +0.139 A ATOM 29 N LIG 1 5.605 0.835 -0.008 0.00 0.00 -0.338 N ATOM 30 H LIG 1 4.651 1.151 0.065 0.00 0.00 +0.167 HD ATOM 31 C LIG 1 6.712 1.575 0.316 0.00 0.00 +0.066 A ATOM 32 C LIG 1 7.775 0.720 0.060 0.00 0.00 +0.089 A ATOM 33 C LIG 1 9.084 1.167 0.289 0.00 0.00 +0.030 A ATOM 34 C LIG 1 9.275 2.469 0.770 0.00 0.00 +0.002 A ATOM 35 C LIG 1 8.184 3.306 1.019 0.00 0.00 +0.002 A ATOM 36 C LIG 1 6.870 2.876 0.796 0.00 0.00 +0.028 A ATOM 37 N LIG 1 7.327 -0.492 -0.401 0.00 0.00 -0.228 NA ENDBRANCH 24 28 ENDBRANCH 20 22 ENDBRANCH 3 20 TORSDOF 5