REMARK Name = BDB061375 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.234 -1.296 0.657 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -1.101 -1.656 0.034 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 0.058 -1.244 0.550 0.00 0.00 +0.219 A ATOM 4 N LIG 1 0.170 -0.488 1.643 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -0.955 -0.128 2.274 0.00 0.00 +0.131 A ATOM 6 C LIG 1 -2.191 -0.534 1.809 0.00 0.00 +0.087 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -5.656 -2.159 -1.778 0.00 0.00 -0.300 NA ATOM 8 C LIG 1 -4.755 -3.252 -1.331 0.00 0.00 +0.103 C ATOM 9 C LIG 1 -3.357 -2.745 -0.910 0.00 0.00 +0.122 C ATOM 10 N LIG 1 -3.482 -1.732 0.161 0.00 0.00 -0.313 N ATOM 11 C LIG 1 -4.361 -0.615 -0.249 0.00 0.00 +0.122 C ATOM 12 C LIG 1 -5.744 -1.148 -0.700 0.00 0.00 +0.103 C BRANCH 7 14 ATOM 13 C LIG 1 -7.874 -1.692 -2.822 0.00 0.00 +0.020 C ATOM 14 C LIG 1 -6.972 -2.710 -2.134 0.00 0.00 +0.081 C ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 3 15 ATOM 15 N LIG 1 1.194 -1.627 -0.154 0.00 0.00 -0.309 N ATOM 16 H LIG 1 0.861 -1.916 -1.069 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 C LIG 1 2.272 -0.650 -0.145 0.00 0.00 +0.092 C ATOM 18 C LIG 1 1.947 0.654 -0.892 0.00 0.00 +0.130 C ATOM 19 N LIG 1 3.212 1.087 -1.475 0.00 0.00 -0.296 N ATOM 20 C LIG 1 3.358 2.374 -1.948 0.00 0.00 +0.251 C ATOM 21 O LIG 1 2.462 3.213 -1.925 0.00 0.00 -0.270 OA ATOM 22 C LIG 1 4.243 0.077 -1.281 0.00 0.00 +0.110 C ATOM 23 C LIG 1 3.474 -1.185 -0.929 0.00 0.00 +0.043 C BRANCH 20 24 ATOM 24 C LIG 1 4.664 2.801 -2.454 0.00 0.00 +0.091 A ATOM 25 C LIG 1 5.200 2.256 -3.609 0.00 0.00 +0.227 A ATOM 26 F LIG 1 4.532 1.293 -4.263 0.00 0.00 -0.183 F ATOM 27 N LIG 1 6.391 2.628 -4.132 0.00 0.00 -0.207 NA ATOM 28 C LIG 1 7.039 3.614 -3.483 0.00 0.00 +0.132 A ATOM 29 CL LIG 1 8.540 4.062 -4.180 0.00 0.00 -0.062 Cl ATOM 30 C LIG 1 6.574 4.247 -2.339 0.00 0.00 +0.041 A ATOM 31 C LIG 1 5.352 3.833 -1.816 0.00 0.00 +0.020 A ENDBRANCH 20 24 ENDBRANCH 15 17 ENDBRANCH 3 15 BRANCH 5 32 ATOM 32 N LIG 1 -0.911 0.631 3.463 0.00 0.00 -0.283 N ATOM 33 H LIG 1 -1.674 1.293 3.518 0.00 0.00 +0.155 HD BRANCH 32 34 ATOM 34 C LIG 1 0.149 0.984 4.219 0.00 0.00 +0.146 A ATOM 35 N LIG 1 0.107 2.019 5.062 0.00 0.00 -0.158 NA ATOM 36 N LIG 1 1.321 2.032 5.634 0.00 0.00 -0.280 N ATOM 37 H LIG 1 1.519 2.754 6.319 0.00 0.00 +0.189 HD ATOM 38 C LIG 1 2.144 1.032 5.202 0.00 0.00 +0.035 A ATOM 39 C LIG 1 3.519 0.855 5.711 0.00 0.00 +0.065 C ATOM 40 C LIG 1 1.401 0.328 4.281 0.00 0.00 +0.068 A ENDBRANCH 32 34 ENDBRANCH 5 32 TORSDOF 7