REMARK Name = BDB058587 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.318 -1.617 0.465 0.00 0.00 +0.089 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 1.898 -1.173 0.136 0.00 0.00 +0.021 C ATOM 3 C LIG 1 1.336 -1.853 1.401 0.00 0.00 +0.023 C ATOM 4 C LIG 1 -0.151 -1.554 1.628 0.00 0.00 +0.085 C ATOM 5 N LIG 1 -0.857 -1.509 0.353 0.00 0.00 -0.302 NA ATOM 6 C LIG 1 -0.421 -0.405 -0.510 0.00 0.00 +0.085 C ATOM 7 C LIG 1 1.032 0.027 -0.265 0.00 0.00 +0.023 C BRANCH 2 11 ATOM 8 C LIG 1 6.112 -0.203 0.552 0.00 0.00 -0.046 A ATOM 9 C LIG 1 5.692 -1.223 -0.308 0.00 0.00 +0.004 A ATOM 10 C LIG 1 4.334 -1.530 -0.435 0.00 0.00 +0.004 A ATOM 11 C LIG 1 3.367 -0.818 0.288 0.00 0.00 -0.044 A ATOM 12 C LIG 1 3.793 0.204 1.148 0.00 0.00 +0.004 A ATOM 13 C LIG 1 5.151 0.511 1.276 0.00 0.00 +0.004 A BRANCH 8 14 ATOM 14 C LIG 1 7.577 0.143 0.674 0.00 0.00 +0.050 C BRANCH 14 15 ATOM 15 C LIG 1 8.006 1.172 -0.387 0.00 0.00 +0.088 C BRANCH 15 17 ATOM 16 C LIG 1 10.365 0.573 -0.520 0.00 0.00 +0.104 C ATOM 17 N LIG 1 9.399 1.635 -0.228 0.00 0.00 -0.308 NA ATOM 18 C LIG 1 9.646 2.780 -1.109 0.00 0.00 +0.104 C ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 2 11 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 -3.023 -0.569 1.348 0.00 0.00 +0.053 C BRANCH 19 20 ATOM 20 C LIG 1 -4.504 -0.745 1.354 0.00 0.00 -0.008 A ATOM 21 C LIG 1 -5.439 -0.139 0.541 0.00 0.00 +0.120 A ATOM 22 N LIG 1 -6.693 -0.603 0.901 0.00 0.00 -0.220 N ATOM 23 N LIG 1 -6.575 -1.494 1.935 0.00 0.00 -0.173 NA ATOM 24 C LIG 1 -5.273 -1.567 2.193 0.00 0.00 +0.138 A BRANCH 22 25 ATOM 25 C LIG 1 -7.999 -0.294 0.370 0.00 0.00 +0.180 A ATOM 26 C LIG 1 -8.191 0.602 -0.692 0.00 0.00 +0.122 A ATOM 27 C LIG 1 -9.525 0.795 -1.093 0.00 0.00 +0.070 A ATOM 28 C LIG 1 -9.793 1.725 -2.205 0.00 0.00 +0.259 A ATOM 29 N LIG 1 -8.697 2.326 -2.757 0.00 0.00 -0.313 N ATOM 30 H LIG 1 -8.871 2.965 -3.520 0.00 0.00 +0.170 HD ATOM 31 C LIG 1 -7.434 2.090 -2.315 0.00 0.00 +0.200 A ATOM 32 O LIG 1 -10.927 1.947 -2.612 0.00 0.00 -0.267 OA ATOM 33 C LIG 1 -10.596 0.144 -0.483 0.00 0.00 +0.035 A ATOM 34 C LIG 1 -10.305 -0.713 0.547 0.00 0.00 +0.114 A ATOM 35 N LIG 1 -7.146 1.289 -1.348 0.00 0.00 -0.233 NA ATOM 36 N LIG 1 -9.051 -0.940 0.976 0.00 0.00 -0.234 NA ENDBRANCH 22 25 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 8