REMARK Name = BDB018129 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.220 -2.433 -2.889 0.00 0.00 +0.047 C ATOM 2 C LIG 1 -0.784 -2.616 -1.759 0.00 0.00 +0.122 C ATOM 3 C LIG 1 -1.774 -1.465 -1.611 0.00 0.00 +0.198 C ATOM 4 C LIG 1 -2.337 -1.742 -0.212 0.00 0.00 +0.252 C ATOM 5 O LIG 1 -1.283 -2.370 0.563 0.00 0.00 -0.344 OA ATOM 6 C LIG 1 -0.217 -2.763 -0.339 0.00 0.00 +0.192 C ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -2.792 -0.541 0.476 0.00 0.00 -0.303 N ATOM 8 C LIG 1 -4.075 -0.052 0.400 0.00 0.00 +0.148 A ATOM 9 C LIG 1 -4.138 1.113 1.153 0.00 0.00 +0.058 A ATOM 10 C LIG 1 -5.375 1.772 1.194 0.00 0.00 +0.129 A ATOM 11 N LIG 1 -6.415 1.251 0.515 0.00 0.00 -0.220 NA ATOM 12 C LIG 1 -6.214 0.115 -0.181 0.00 0.00 +0.225 A ATOM 13 C LIG 1 -2.844 1.320 1.705 0.00 0.00 +0.033 A ATOM 14 N LIG 1 -5.087 -0.608 -0.287 0.00 0.00 -0.218 NA ATOM 15 C LIG 1 -2.039 0.284 1.281 0.00 0.00 +0.091 A BRANCH 10 16 ATOM 16 N LIG 1 -5.604 2.935 1.918 0.00 0.00 -0.343 N ATOM 17 H LIG 1 -5.027 3.034 2.741 0.00 0.00 +0.144 HD ATOM 18 H LIG 1 -6.599 3.076 2.046 0.00 0.00 +0.144 HD ENDBRANCH 10 16 ENDBRANCH 4 7 BRANCH 3 19 ATOM 19 O LIG 1 -2.750 -1.506 -2.654 0.00 0.00 -0.384 OA ATOM 20 H LIG 1 -2.986 -2.451 -2.752 0.00 0.00 +0.210 HD ENDBRANCH 3 19 BRANCH 2 21 ATOM 21 O LIG 1 -1.570 -3.795 -2.078 0.00 0.00 -0.383 OA ATOM 22 H LIG 1 -0.958 -4.546 -2.185 0.00 0.00 +0.210 HD ENDBRANCH 2 21 BRANCH 6 23 ATOM 23 C LIG 1 1.040 -1.946 -0.002 0.00 0.00 +0.263 C BRANCH 23 24 ATOM 24 O LIG 1 0.852 -0.580 -0.368 0.00 0.00 -0.489 OA BRANCH 24 25 ATOM 25 C LIG 1 1.857 0.298 -0.073 0.00 0.00 +0.123 A ATOM 26 C LIG 1 3.104 -0.031 0.465 0.00 0.00 +0.074 A ATOM 27 C LIG 1 4.064 0.940 0.726 0.00 0.00 +0.077 A ATOM 28 C LIG 1 3.756 2.285 0.438 0.00 0.00 +0.001 A ATOM 29 C LIG 1 4.728 3.251 0.711 0.00 0.00 +0.013 A ATOM 30 C LIG 1 5.949 2.861 1.248 0.00 0.00 +0.044 A ATOM 31 C LIG 1 6.168 1.515 1.488 0.00 0.00 +0.117 A ATOM 32 C LIG 1 2.506 2.624 -0.103 0.00 0.00 +0.013 A ATOM 33 N LIG 1 5.250 0.567 1.241 0.00 0.00 -0.232 NA ATOM 34 C LIG 1 1.565 1.630 -0.357 0.00 0.00 +0.046 A BRANCH 31 35 ATOM 35 N LIG 1 7.371 1.085 2.043 0.00 0.00 -0.343 N ATOM 36 H LIG 1 8.167 1.405 1.505 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 7.329 0.070 2.091 0.00 0.00 +0.144 HD ENDBRANCH 31 35 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 8