REMARK Name = BDB001482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.683 0.108 -0.455 0.00 0.00 +0.151 A ATOM 2 C LIG 1 4.456 -0.524 -0.084 0.00 0.00 +0.018 A ATOM 3 C LIG 1 4.049 -1.968 0.179 0.00 0.00 -0.001 C ATOM 4 C LIG 1 2.650 -2.008 0.915 0.00 0.00 +0.050 C ATOM 5 C LIG 1 1.672 -0.930 0.537 0.00 0.00 -0.001 A ATOM 6 C LIG 1 2.094 0.313 0.114 0.00 0.00 +0.097 A ATOM 7 N LIG 1 1.275 1.339 -0.170 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 -0.041 1.118 -0.017 0.00 0.00 +0.220 A ATOM 9 N LIG 1 -0.547 -0.051 0.408 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 0.315 -1.048 0.682 0.00 0.00 +0.120 A ATOM 11 C LIG 1 5.032 -2.709 1.105 0.00 0.00 +0.016 C ATOM 12 C LIG 1 3.928 -2.726 -1.157 0.00 0.00 +0.016 C ATOM 13 C LIG 1 3.518 0.501 -0.088 0.00 0.00 +0.092 A ATOM 14 N LIG 1 4.203 1.651 -0.341 0.00 0.00 -0.264 N ATOM 15 C LIG 1 3.687 2.998 -0.408 0.00 0.00 +0.173 C ATOM 16 N LIG 1 5.519 1.449 -0.544 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 9.360 0.165 -1.185 0.00 0.00 +0.128 C ATOM 18 N LIG 1 7.977 0.482 -0.972 0.00 0.00 -0.313 N ATOM 19 H LIG 1 7.666 1.442 -0.845 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 7.009 -0.476 -0.753 0.00 0.00 +0.264 C ATOM 21 O LIG 1 7.234 -1.679 -0.815 0.00 0.00 -0.268 OA ENDBRANCH 1 20 BRANCH 8 22 ATOM 22 N LIG 1 -0.852 2.207 -0.325 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -0.271 2.972 -0.632 0.00 0.00 +0.155 HD BRANCH 22 24 ATOM 24 C LIG 1 -2.236 2.422 -0.353 0.00 0.00 +0.035 A ATOM 25 C LIG 1 -3.191 1.437 -0.054 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -4.581 1.675 -0.072 0.00 0.00 +0.032 A ATOM 27 C LIG 1 -4.989 2.972 -0.410 0.00 0.00 +0.023 A ATOM 28 C LIG 1 -4.066 3.977 -0.709 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -2.703 3.701 -0.677 0.00 0.00 +0.023 A BRANCH 26 30 ATOM 30 N LIG 1 -5.496 0.678 0.228 0.00 0.00 -0.327 N ATOM 31 C LIG 1 -6.911 0.770 -0.166 0.00 0.00 +0.120 C ATOM 32 C LIG 1 -7.525 -0.642 -0.315 0.00 0.00 +0.103 C ATOM 33 N LIG 1 -7.493 -1.453 0.922 0.00 0.00 -0.302 NA ATOM 34 C LIG 1 -7.532 -2.877 0.600 0.00 0.00 +0.105 C ATOM 35 C LIG 1 -6.321 -1.110 1.756 0.00 0.00 +0.103 C ATOM 36 C LIG 1 -5.108 -0.512 1.005 0.00 0.00 +0.120 C ENDBRANCH 26 30 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 4