REMARK Name = BDB032402 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.687 -1.982 1.916 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.202 -1.033 2.824 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -0.251 -0.099 2.418 0.00 0.00 +0.128 A ATOM 4 F LIG 1 0.185 0.800 3.312 0.00 0.00 -0.205 F ATOM 5 C LIG 1 0.245 -0.081 1.113 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -0.262 -1.015 0.197 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -1.215 -1.956 0.596 0.00 0.00 +0.005 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -2.755 -2.964 2.327 0.00 0.00 +0.139 C BRANCH 8 10 ATOM 9 C LIG 1 -4.731 -2.438 0.962 0.00 0.00 +0.221 C ATOM 10 N LIG 1 -4.066 -2.381 2.170 0.00 0.00 -0.311 N ATOM 11 H LIG 1 -4.293 -1.591 2.769 0.00 0.00 +0.149 HD ATOM 12 O LIG 1 -4.382 -3.147 0.021 0.00 0.00 -0.275 OA BRANCH 9 13 ATOM 13 C LIG 1 -5.946 -1.537 0.880 0.00 0.00 +0.170 C BRANCH 13 16 ATOM 14 C LIG 1 -4.669 0.125 -1.385 0.00 0.00 +0.150 C ATOM 15 N LIG 1 -4.924 0.594 -0.044 0.00 0.00 -0.337 N ATOM 16 C LIG 1 -5.496 -0.119 0.984 0.00 0.00 +0.118 A ATOM 17 N LIG 1 -5.530 0.606 2.088 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 -4.992 1.820 1.753 0.00 0.00 +0.130 A ATOM 19 C LIG 1 -4.605 1.834 0.435 0.00 0.00 +0.106 A ENDBRANCH 13 16 ENDBRANCH 9 13 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 5 20 ATOM 20 C LIG 1 1.247 0.968 0.697 0.00 0.00 +0.139 C BRANCH 20 21 ATOM 21 N LIG 1 2.312 0.357 -0.096 0.00 0.00 -0.339 N ATOM 22 H LIG 1 2.668 -0.478 0.364 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 3.382 1.137 -0.584 0.00 0.00 +0.035 A ATOM 24 C LIG 1 4.487 0.495 -1.231 0.00 0.00 +0.008 A ATOM 25 C LIG 1 5.563 1.268 -1.736 0.00 0.00 +0.023 A ATOM 26 C LIG 1 6.650 0.588 -2.344 0.00 0.00 +0.124 A ATOM 27 N LIG 1 6.705 -0.747 -2.480 0.00 0.00 -0.240 NA ATOM 28 C LIG 1 5.665 -1.460 -2.021 0.00 0.00 +0.113 A ATOM 29 C LIG 1 5.500 2.674 -1.623 0.00 0.00 +0.012 A ATOM 30 C LIG 1 4.401 3.301 -1.046 0.00 0.00 +0.003 A ATOM 31 C LIG 1 4.560 -0.900 -1.406 0.00 0.00 +0.030 A ATOM 32 C LIG 1 3.350 2.539 -0.546 0.00 0.00 +0.023 A BRANCH 26 33 ATOM 33 N LIG 1 7.756 1.288 -2.857 0.00 0.00 -0.343 N ATOM 34 H LIG 1 8.186 1.824 -2.110 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 7.441 1.924 -3.581 0.00 0.00 +0.144 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 5 20 TORSDOF 8