REMARK Name = BDB021536 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.110 -0.678 -2.329 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -0.258 -1.495 -1.114 0.00 0.00 -0.331 N ATOM 3 C LIG 1 0.617 -1.113 -0.086 0.00 0.00 +0.045 A ATOM 4 C LIG 1 0.275 -0.610 1.184 0.00 0.00 +0.058 A ATOM 5 C LIG 1 1.294 -0.243 2.093 0.00 0.00 +0.018 A ATOM 6 C LIG 1 2.647 -0.390 1.786 0.00 0.00 +0.046 A ATOM 7 C LIG 1 3.010 -0.911 0.557 0.00 0.00 +0.123 A ATOM 8 C LIG 1 -1.103 -0.371 1.704 0.00 0.00 +0.249 C ATOM 9 O LIG 1 -1.288 0.628 2.399 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 -2.094 -1.322 1.484 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -1.895 -2.428 0.559 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.003 -1.265 -0.349 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.647 -1.892 -0.848 0.00 0.00 +0.123 C ENDROOT BRANCH 7 14 ATOM 14 O LIG 1 4.280 -1.129 0.105 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 5.397 -0.769 0.931 0.00 0.00 +0.176 C ATOM 16 C LIG 1 6.593 -1.613 0.470 0.00 0.00 +0.060 C ATOM 17 C LIG 1 7.415 -0.871 -0.582 0.00 0.00 +0.088 C ATOM 18 N LIG 1 8.021 0.358 -0.046 0.00 0.00 -0.297 NA ATOM 19 C LIG 1 7.167 1.035 0.947 0.00 0.00 +0.088 C ATOM 20 C LIG 1 5.682 0.730 0.785 0.00 0.00 +0.060 C BRANCH 18 21 ATOM 21 C LIG 1 8.500 1.284 -1.103 0.00 0.00 +0.084 C ATOM 22 C LIG 1 9.294 0.657 -2.268 0.00 0.00 +0.178 C ATOM 23 O LIG 1 10.672 0.568 -1.871 0.00 0.00 -0.378 OA ATOM 24 C LIG 1 10.832 1.347 -0.679 0.00 0.00 +0.161 C ATOM 25 C LIG 1 9.587 2.200 -0.551 0.00 0.00 +0.049 C ENDBRANCH 18 21 ENDBRANCH 14 15 ENDBRANCH 7 14 BRANCH 10 26 ATOM 26 C LIG 1 -3.436 -1.101 2.041 0.00 0.00 +0.140 C BRANCH 26 27 ATOM 27 C LIG 1 -4.509 -0.714 0.997 0.00 0.00 +0.146 C BRANCH 27 28 ATOM 28 O LIG 1 -4.121 0.484 0.324 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 -4.761 0.635 -0.390 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -5.876 -0.540 1.708 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 N LIG 1 -7.066 -0.227 0.899 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 -7.272 1.213 0.694 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -8.462 1.544 -0.187 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -9.080 0.562 -0.980 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -10.166 0.906 -1.797 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -10.618 2.224 -1.848 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -9.996 3.205 -1.079 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -8.619 -0.870 -0.899 0.00 0.00 +0.051 C ATOM 39 C LIG 1 -8.923 2.868 -0.253 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -7.196 -0.992 -0.339 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 10 26 TORSDOF 8