REMARK Name = BDB003315 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.168 -3.240 -0.474 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.995 -2.886 -1.039 0.00 0.00 -0.226 NA ATOM 3 C LIG 1 -0.777 -1.572 -1.282 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -1.754 -0.576 -1.004 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -2.967 -0.988 -0.411 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -3.963 -0.040 -0.109 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -3.789 1.325 -0.391 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -2.596 1.731 -0.992 0.00 0.00 +0.007 A ATOM 9 C LIG 1 -1.600 0.799 -1.297 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -3.169 -2.341 -0.139 0.00 0.00 +0.041 A ENDROOT BRANCH 3 11 ATOM 11 N LIG 1 0.477 -1.199 -1.842 0.00 0.00 -0.284 N ATOM 12 C LIG 1 1.571 -0.664 -1.105 0.00 0.00 +0.039 A ATOM 13 C LIG 1 2.854 -0.573 -1.679 0.00 0.00 -0.025 A ATOM 14 C LIG 1 3.921 -0.018 -0.950 0.00 0.00 +0.014 A ATOM 15 C LIG 1 3.741 0.469 0.351 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.470 0.400 0.938 0.00 0.00 +0.027 A ATOM 17 C LIG 1 3.144 -1.129 -3.051 0.00 0.00 +0.038 C ATOM 18 C LIG 1 1.875 -1.441 -3.826 0.00 0.00 +0.024 C ATOM 19 C LIG 1 1.411 -0.173 0.204 0.00 0.00 +0.033 A ATOM 20 C LIG 1 0.877 -2.132 -2.908 0.00 0.00 +0.113 C BRANCH 15 21 ATOM 21 C LIG 1 4.884 1.025 1.047 0.00 0.00 +0.020 A ATOM 22 C LIG 1 5.608 2.111 0.605 0.00 0.00 +0.116 A ATOM 23 N LIG 1 6.588 2.315 1.533 0.00 0.00 -0.274 N ATOM 24 C LIG 1 7.605 3.337 1.513 0.00 0.00 +0.172 C ATOM 25 N LIG 1 6.547 1.442 2.555 0.00 0.00 -0.179 NA ATOM 26 C LIG 1 5.517 0.647 2.251 0.00 0.00 +0.142 A ENDBRANCH 15 21 BRANCH 16 27 ATOM 27 C LIG 1 2.202 0.908 2.333 0.00 0.00 +0.372 C ATOM 28 F LIG 1 0.872 1.054 2.608 0.00 0.00 -0.204 F ATOM 29 F LIG 1 2.677 0.065 3.292 0.00 0.00 -0.204 F ENDBRANCH 16 27 ENDBRANCH 3 11 BRANCH 1 33 ATOM 30 C LIG 1 -2.958 -6.398 1.449 0.00 0.00 +0.128 C ATOM 31 N LIG 1 -2.880 -5.020 1.034 0.00 0.00 -0.313 N ATOM 32 H LIG 1 -2.840 -4.314 1.757 0.00 0.00 +0.149 HD ATOM 33 C LIG 1 -2.355 -4.701 -0.211 0.00 0.00 +0.262 C ATOM 34 O LIG 1 -2.047 -5.542 -1.048 0.00 0.00 -0.269 OA ENDBRANCH 1 33 BRANCH 7 35 ATOM 35 C LIG 1 -4.880 2.308 -0.030 0.00 0.00 +0.148 C ATOM 36 O LIG 1 -4.692 3.594 -0.655 0.00 0.00 -0.372 OA ATOM 37 C LIG 1 -4.862 4.614 0.338 0.00 0.00 +0.161 C ATOM 38 C LIG 1 -5.545 3.959 1.516 0.00 0.00 +0.031 C ATOM 39 C LIG 1 -4.966 2.568 1.470 0.00 0.00 +0.038 C ENDBRANCH 7 35 TORSDOF 5