REMARK Name = BDB020655 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.326 1.573 -0.539 0.00 0.00 +0.043 A ATOM 2 C LIG 1 1.046 0.131 -0.638 0.00 0.00 -0.017 A ATOM 3 C LIG 1 2.240 -0.766 -0.851 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -0.252 -0.289 -0.581 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -1.270 0.704 -0.492 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -1.006 2.072 -0.461 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -2.196 2.763 -0.405 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -3.247 1.813 -0.390 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -2.646 0.570 -0.428 0.00 0.00 +0.100 A ATOM 10 C LIG 1 0.348 2.494 -0.478 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -4.687 2.020 -0.310 0.00 0.00 -0.015 A ATOM 12 C LIG 1 -5.577 1.136 -0.950 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -6.969 1.348 -0.871 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -7.444 2.446 -0.152 0.00 0.00 +0.064 A ATOM 15 N LIG 1 -8.822 2.416 -0.235 0.00 0.00 -0.360 N ATOM 16 H LIG 1 -9.443 3.092 0.193 0.00 0.00 +0.165 HD ATOM 17 C LIG 1 -9.226 1.341 -0.981 0.00 0.00 +0.083 A ATOM 18 C LIG 1 -6.574 3.339 0.489 0.00 0.00 +0.076 A ATOM 19 C LIG 1 -8.102 0.662 -1.389 0.00 0.00 +0.027 A ATOM 20 C LIG 1 -5.195 3.114 0.400 0.00 0.00 +0.029 A BRANCH 18 21 ATOM 21 C LIG 1 -7.118 4.444 1.212 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -7.589 5.333 1.791 0.00 0.00 -0.191 NA ENDBRANCH 18 21 ENDBRANCH 8 11 BRANCH 1 25 ATOM 23 N LIG 1 3.351 1.807 0.699 0.00 0.00 -0.307 N ATOM 24 H LIG 1 2.898 1.197 1.371 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 2.707 2.130 -0.467 0.00 0.00 +0.245 C ATOM 26 O LIG 1 3.182 2.809 -1.367 0.00 0.00 -0.270 OA BRANCH 23 27 ATOM 27 C LIG 1 4.747 2.105 0.925 0.00 0.00 +0.145 C BRANCH 27 34 ATOM 28 C LIG 1 7.833 -2.733 -0.030 0.00 0.00 +0.063 C ATOM 29 C LIG 1 7.069 -1.455 0.122 0.00 0.00 +0.016 A ATOM 30 N LIG 1 6.264 -1.333 1.227 0.00 0.00 -0.326 N ATOM 31 H LIG 1 6.201 -2.091 1.896 0.00 0.00 +0.169 HD ATOM 32 C LIG 1 5.494 -0.235 1.509 0.00 0.00 +0.254 A ATOM 33 O LIG 1 4.764 -0.204 2.496 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 5.570 0.910 0.541 0.00 0.00 +0.037 A ATOM 35 C LIG 1 6.364 0.782 -0.546 0.00 0.00 -0.039 A ATOM 36 C LIG 1 6.544 1.816 -1.624 0.00 0.00 +0.044 C ATOM 37 C LIG 1 7.128 -0.441 -0.754 0.00 0.00 +0.024 A ENDBRANCH 27 34 ENDBRANCH 23 27 ENDBRANCH 1 25 BRANCH 4 38 ATOM 38 C LIG 1 -0.646 -1.776 -0.633 0.00 0.00 +0.101 C ATOM 39 C LIG 1 -1.254 -2.068 -2.020 0.00 0.00 +0.031 C BRANCH 38 40 ATOM 40 N LIG 1 -1.493 -2.212 0.505 0.00 0.00 -0.290 NA ATOM 41 C LIG 1 -0.861 -1.889 1.812 0.00 0.00 +0.113 C ATOM 42 C LIG 1 -1.396 -2.764 2.956 0.00 0.00 +0.175 C ATOM 43 O LIG 1 -1.089 -4.152 2.770 0.00 0.00 -0.377 OA ATOM 44 C LIG 1 -1.029 -4.531 1.390 0.00 0.00 +0.175 C ATOM 45 C LIG 1 -1.886 -3.639 0.478 0.00 0.00 +0.113 C ENDBRANCH 38 40 ENDBRANCH 4 38 TORSDOF 7