REMARK Name = BDB047600 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.026 0.585 -0.590 0.00 0.00 +0.078 C ATOM 2 C LIG 1 2.033 0.207 0.525 0.00 0.00 +0.032 C ATOM 3 C LIG 1 0.756 1.042 0.476 0.00 0.00 +0.109 C ATOM 4 N LIG 1 0.082 0.910 -0.818 0.00 0.00 -0.297 N ATOM 5 C LIG 1 -1.298 0.800 -0.983 0.00 0.00 +0.247 C ATOM 6 O LIG 1 -1.827 0.425 -2.026 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 0.922 0.690 -1.990 0.00 0.00 +0.109 C ATOM 8 C LIG 1 2.321 1.253 -1.787 0.00 0.00 +0.032 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -2.182 1.166 0.145 0.00 0.00 +0.037 A ATOM 10 C LIG 1 -3.119 0.232 0.600 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -4.000 0.565 1.639 0.00 0.00 -0.041 A ATOM 12 C LIG 1 -3.902 1.838 2.224 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -2.977 2.774 1.756 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -2.122 2.444 0.707 0.00 0.00 +0.013 A BRANCH 11 15 ATOM 15 C LIG 1 -5.005 -0.429 2.179 0.00 0.00 +0.093 C BRANCH 15 16 ATOM 16 C LIG 1 -5.630 -1.337 1.128 0.00 0.00 +0.074 A ATOM 17 C LIG 1 -6.637 -0.796 0.179 0.00 0.00 +0.011 A ATOM 18 C LIG 1 -7.171 -1.682 -0.755 0.00 0.00 +0.050 A ATOM 19 C LIG 1 -8.124 -1.251 -1.686 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -8.544 0.078 -1.682 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -8.014 0.970 -0.750 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -6.722 -3.083 -0.754 0.00 0.00 +0.272 A ATOM 23 O LIG 1 -7.173 -3.902 -1.547 0.00 0.00 -0.266 OA ATOM 24 N LIG 1 -5.780 -3.415 0.189 0.00 0.00 -0.242 N ATOM 25 H LIG 1 -5.456 -4.377 0.201 0.00 0.00 +0.192 HD ATOM 26 C LIG 1 -7.064 0.538 0.180 0.00 0.00 +0.010 A ATOM 27 N LIG 1 -5.240 -2.579 1.114 0.00 0.00 -0.175 NA ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 5 9 BRANCH 1 30 ATOM 28 C LIG 1 6.127 1.757 1.363 0.00 0.00 +0.132 C ATOM 29 N LIG 1 5.088 0.895 0.813 0.00 0.00 -0.300 N ATOM 30 C LIG 1 4.139 1.476 -0.023 0.00 0.00 +0.219 C ATOM 31 O LIG 1 4.158 2.683 -0.271 0.00 0.00 -0.275 OA BRANCH 29 32 ATOM 32 C LIG 1 5.293 -0.547 0.988 0.00 0.00 +0.142 C BRANCH 32 33 ATOM 33 C LIG 1 6.460 -1.101 0.199 0.00 0.00 -0.030 A ATOM 34 C LIG 1 6.633 -0.809 -1.163 0.00 0.00 +0.005 A ATOM 35 C LIG 1 7.700 -1.356 -1.878 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.601 -2.209 -1.245 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.436 -2.517 0.103 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.370 -1.970 0.820 0.00 0.00 +0.005 A ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 1 30 TORSDOF 6