REMARK Name = BDB041240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.480 0.204 0.154 0.00 0.00 -0.311 N ATOM 2 C LIG 1 -0.597 -1.248 -0.007 0.00 0.00 +0.131 C ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -1.831 2.118 0.856 0.00 0.00 +0.178 A ATOM 4 C LIG 1 -1.742 0.848 0.262 0.00 0.00 +0.167 A ATOM 5 N LIG 1 -2.839 0.205 -0.197 0.00 0.00 -0.207 NA ATOM 6 C LIG 1 -4.016 0.838 -0.085 0.00 0.00 +0.180 A ATOM 7 N LIG 1 -4.204 2.058 0.434 0.00 0.00 -0.231 NA ATOM 8 C LIG 1 -3.098 2.666 0.903 0.00 0.00 +0.162 A BRANCH 6 9 ATOM 9 C LIG 1 -5.192 0.173 -0.620 0.00 0.00 +0.109 A ATOM 10 N LIG 1 -5.447 -1.181 -0.537 0.00 0.00 -0.258 N ATOM 11 N LIG 1 -6.591 -1.548 -1.162 0.00 0.00 -0.178 NA ATOM 12 C LIG 1 -7.103 -0.400 -1.597 0.00 0.00 +0.138 A ATOM 13 C LIG 1 -6.291 0.708 -1.288 0.00 0.00 -0.002 A ATOM 14 C LIG 1 -6.556 2.127 -1.630 0.00 0.00 +0.048 C BRANCH 10 15 ATOM 15 C LIG 1 -4.671 -2.217 0.145 0.00 0.00 +0.102 C ATOM 16 C LIG 1 -5.545 -3.095 1.047 0.00 0.00 +0.032 C ATOM 17 C LIG 1 -3.899 -3.067 -0.862 0.00 0.00 +0.032 C ENDBRANCH 10 15 ENDBRANCH 6 9 BRANCH 3 19 ATOM 18 C LIG 1 -0.830 3.940 2.019 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -0.692 2.698 1.343 0.00 0.00 -0.490 OA ENDBRANCH 3 19 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 C LIG 1 0.352 0.858 -0.872 0.00 0.00 +0.141 C BRANCH 20 21 ATOM 21 C LIG 1 1.820 0.538 -0.668 0.00 0.00 -0.030 A ATOM 22 C LIG 1 2.585 -0.011 -1.700 0.00 0.00 +0.007 A ATOM 23 C LIG 1 3.942 -0.288 -1.506 0.00 0.00 +0.028 A ATOM 24 C LIG 1 4.573 -0.011 -0.278 0.00 0.00 +0.066 A ATOM 25 C LIG 1 3.802 0.530 0.755 0.00 0.00 +0.028 A ATOM 26 C LIG 1 2.443 0.807 0.557 0.00 0.00 +0.007 A BRANCH 24 27 ATOM 27 N LIG 1 5.965 -0.318 -0.138 0.00 0.00 -0.236 N ATOM 28 C LIG 1 6.884 0.003 0.860 0.00 0.00 +0.042 A ATOM 29 C LIG 1 6.658 0.893 2.026 0.00 0.00 +0.066 C ATOM 30 C LIG 1 8.061 -0.636 0.525 0.00 0.00 +0.057 A ATOM 31 C LIG 1 7.825 -1.275 -0.708 0.00 0.00 +0.166 A ATOM 32 N LIG 1 6.568 -1.050 -1.120 0.00 0.00 -0.162 NA BRANCH 31 33 ATOM 33 C LIG 1 8.809 -2.088 -1.505 0.00 0.00 +0.436 C ATOM 34 F LIG 1 9.044 -1.562 -2.737 0.00 0.00 -0.164 F ATOM 35 F LIG 1 8.396 -3.370 -1.692 0.00 0.00 -0.164 F ATOM 36 F LIG 1 10.020 -2.164 -0.885 0.00 0.00 -0.164 F ENDBRANCH 31 33 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8