REMARK Name = BDB031773 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.436 1.222 -1.677 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.920 -0.085 -1.587 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.589 -0.256 -1.187 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.260 0.802 -0.893 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.508 0.194 -0.538 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.421 -1.138 -0.599 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.242 2.112 -1.003 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.165 -1.377 -0.994 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.121 -2.341 -1.111 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.577 2.298 -1.396 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.323 -0.539 2.219 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.130 0.323 1.129 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.963 0.226 0.025 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.045 0.969 -1.279 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.868 1.451 -2.104 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.239 0.357 -1.975 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -6.729 -0.635 -1.144 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.535 -1.193 -1.380 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.669 0.691 -3.066 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.752 2.439 -1.368 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.994 -0.724 0.040 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.217 -1.585 1.093 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.362 -1.487 2.196 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -3.546 -1.226 4.363 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -3.437 -0.353 3.245 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 2.580 0.937 -0.183 0.00 0.00 -0.278 N ATOM 27 H LIG 1 2.513 1.947 -0.221 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 3.924 0.553 0.030 0.00 0.00 +0.187 A ATOM 29 C LIG 1 4.841 1.518 0.494 0.00 0.00 +0.256 A ATOM 30 N LIG 1 6.144 1.252 0.750 0.00 0.00 -0.217 NA ATOM 31 C LIG 1 6.510 -0.031 0.536 0.00 0.00 +0.138 A ATOM 32 C LIG 1 5.643 -1.021 0.079 0.00 0.00 +0.069 A ATOM 33 N LIG 1 4.343 -0.720 -0.167 0.00 0.00 -0.230 NA BRANCH 32 34 ATOM 34 C LIG 1 6.021 -2.510 -0.160 0.00 0.00 +0.091 C ATOM 35 C LIG 1 5.289 -3.313 -1.250 0.00 0.00 +0.171 C ATOM 36 O LIG 1 6.549 -3.880 -1.712 0.00 0.00 -0.378 OA ATOM 37 C LIG 1 7.267 -2.842 -0.997 0.00 0.00 +0.171 C ENDBRANCH 32 34 BRANCH 29 38 ATOM 38 O LIG 1 4.362 2.810 0.664 0.00 0.00 -0.477 OA ATOM 39 C LIG 1 5.344 3.701 1.184 0.00 0.00 +0.279 C ENDBRANCH 29 38 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6