REMARK Name = BDB062002 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.677 0.275 1.260 0.00 0.00 +0.122 A ATOM 2 N LIG 1 -1.317 -0.634 2.248 0.00 0.00 -0.312 N ATOM 3 C LIG 1 -2.214 -1.350 3.129 0.00 0.00 +0.152 C ATOM 4 C LIG 1 0.052 -0.808 2.206 0.00 0.00 +0.203 A ATOM 5 N LIG 1 0.562 -0.102 1.231 0.00 0.00 -0.213 NA ATOM 6 C LIG 1 -0.477 0.544 0.619 0.00 0.00 +0.102 A ENDROOT BRANCH 6 7 ATOM 7 C LIG 1 -0.227 1.445 -0.490 0.00 0.00 +0.003 A ATOM 8 C LIG 1 0.737 2.449 -0.344 0.00 0.00 +0.013 A ATOM 9 C LIG 1 1.040 3.299 -1.412 0.00 0.00 +0.046 A ATOM 10 C LIG 1 0.397 3.149 -2.642 0.00 0.00 +0.120 A ATOM 11 C LIG 1 -0.557 2.142 -2.795 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -0.863 1.290 -1.725 0.00 0.00 +0.013 A BRANCH 10 13 ATOM 13 O LIG 1 0.796 4.034 -3.606 0.00 0.00 -0.495 OA ATOM 14 C LIG 1 0.171 3.920 -4.879 0.00 0.00 +0.277 C ENDBRANCH 10 13 ENDBRANCH 6 7 BRANCH 4 15 ATOM 15 N LIG 1 0.742 -1.617 3.074 0.00 0.00 -0.255 N ATOM 16 H LIG 1 0.268 -2.093 3.826 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 2.097 -1.848 3.053 0.00 0.00 +0.233 C ATOM 18 O LIG 1 2.543 -2.601 3.925 0.00 0.00 -0.274 OA BRANCH 17 19 ATOM 19 C LIG 1 2.963 -1.175 1.972 0.00 0.00 +0.181 C BRANCH 19 20 ATOM 20 N LIG 1 4.397 -1.564 2.022 0.00 0.00 -0.289 NA ATOM 21 C LIG 1 5.190 -0.679 1.146 0.00 0.00 +0.120 C ATOM 22 C LIG 1 4.976 -0.916 -0.335 0.00 0.00 -0.026 A ATOM 23 C LIG 1 4.596 -2.184 -0.811 0.00 0.00 -0.038 A ATOM 24 C LIG 1 4.422 -2.396 -2.191 0.00 0.00 +0.053 A ATOM 25 C LIG 1 4.619 -1.355 -3.103 0.00 0.00 +0.162 A ATOM 26 C LIG 1 4.974 -0.091 -2.613 0.00 0.00 +0.162 A ATOM 27 C LIG 1 4.280 -3.296 0.163 0.00 0.00 +0.051 C ATOM 28 C LIG 1 5.184 0.123 -1.249 0.00 0.00 +0.054 A ATOM 29 C LIG 1 4.642 -2.961 1.621 0.00 0.00 +0.090 C BRANCH 26 30 ATOM 30 O LIG 1 5.170 0.949 -3.491 0.00 0.00 -0.491 OA ATOM 31 C LIG 1 4.047 1.834 -3.452 0.00 0.00 +0.277 C ENDBRANCH 26 30 BRANCH 25 32 ATOM 32 O LIG 1 4.451 -1.456 -4.459 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 4.369 -2.767 -5.003 0.00 0.00 +0.277 C ENDBRANCH 25 32 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 4 15 BRANCH 1 34 ATOM 34 C LIG 1 -2.990 0.822 0.986 0.00 0.00 +0.251 C ATOM 35 O LIG 1 -3.430 1.064 -0.131 0.00 0.00 -0.282 OA BRANCH 34 36 ATOM 36 C LIG 1 -3.872 1.132 2.188 0.00 0.00 +0.234 C ATOM 37 O LIG 1 -3.349 1.602 3.194 0.00 0.00 -0.283 OA BRANCH 36 41 ATOM 38 C LIG 1 -8.092 0.283 2.270 0.00 0.00 +0.120 A ATOM 39 C LIG 1 -7.313 -0.170 1.201 0.00 0.00 +0.046 A ATOM 40 C LIG 1 -5.941 0.097 1.146 0.00 0.00 +0.015 A ATOM 41 C LIG 1 -5.330 0.832 2.167 0.00 0.00 +0.026 A ATOM 42 C LIG 1 -6.113 1.283 3.240 0.00 0.00 +0.015 A ATOM 43 C LIG 1 -7.486 1.013 3.291 0.00 0.00 +0.046 A BRANCH 38 45 ATOM 44 C LIG 1 -10.255 0.390 3.253 0.00 0.00 +0.277 C ATOM 45 O LIG 1 -9.414 -0.051 2.194 0.00 0.00 -0.495 OA ENDBRANCH 38 45 ENDBRANCH 36 41 ENDBRANCH 34 36 ENDBRANCH 1 34 TORSDOF 11