REMARK Name = BDB038335 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.296 1.484 -1.286 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -0.797 0.812 -0.881 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.738 0.078 0.254 0.00 0.00 +0.131 A ATOM 4 C LIG 1 0.425 -0.002 1.007 0.00 0.00 +0.052 A ATOM 5 C LIG 1 1.575 0.679 0.588 0.00 0.00 -0.011 A ATOM 6 C LIG 1 1.491 1.434 -0.585 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.915 -0.603 0.620 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -2.109 -1.445 1.704 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -1.345 -1.808 2.579 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -3.507 -1.893 1.640 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.185 -2.738 2.498 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -5.523 -3.008 2.211 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -6.144 -2.433 1.085 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -5.442 -1.574 0.219 0.00 0.00 +0.060 A ATOM 15 C LIG 1 -4.107 -1.316 0.523 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -3.111 -0.460 -0.195 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 -6.097 -0.956 -0.987 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -6.064 0.405 -0.951 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -5.480 -1.313 -2.147 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -7.405 -1.297 -1.135 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 21 ATOM 21 C LIG 1 2.828 0.600 1.370 0.00 0.00 -0.007 A ATOM 22 C LIG 1 4.066 0.185 0.822 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.222 0.192 1.625 0.00 0.00 +0.012 A ATOM 24 C LIG 1 5.165 0.570 2.965 0.00 0.00 +0.001 A ATOM 25 C LIG 1 3.952 0.957 3.519 0.00 0.00 +0.001 A ATOM 26 C LIG 1 2.800 0.975 2.730 0.00 0.00 +0.009 A BRANCH 22 27 ATOM 27 C LIG 1 4.226 -0.243 -0.568 0.00 0.00 +0.164 A ATOM 28 N LIG 1 3.645 -1.337 -1.161 0.00 0.00 -0.317 N ATOM 29 C LIG 1 2.802 -2.339 -0.566 0.00 0.00 +0.152 C ATOM 30 C LIG 1 4.066 -1.339 -2.456 0.00 0.00 +0.225 A ATOM 31 N LIG 1 4.886 -0.335 -2.654 0.00 0.00 -0.138 NA ATOM 32 N LIG 1 4.997 0.346 -1.465 0.00 0.00 -0.129 NA ENDBRANCH 22 27 ENDBRANCH 5 21 BRANCH 1 33 ATOM 33 N LIG 1 0.149 2.181 -2.481 0.00 0.00 -0.329 N ATOM 34 H LIG 1 -0.834 2.094 -2.728 0.00 0.00 +0.147 HD BRANCH 33 36 ATOM 35 C LIG 1 0.233 4.218 -3.803 0.00 0.00 +0.024 C ATOM 36 C LIG 1 0.623 3.559 -2.489 0.00 0.00 +0.099 C ENDBRANCH 33 36 ENDBRANCH 1 33 TORSDOF 6