REMARK Name = BDB032284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.797 -0.414 0.954 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -0.827 0.578 0.970 0.00 0.00 +0.118 A ATOM 3 N LIG 1 0.467 0.388 0.620 0.00 0.00 -0.240 NA ATOM 4 C LIG 1 0.846 -0.847 0.236 0.00 0.00 +0.119 A ATOM 5 C LIG 1 -0.063 -1.901 0.186 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -1.390 -1.686 0.553 0.00 0.00 +0.010 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 2.171 -1.101 -0.167 0.00 0.00 -0.329 N ATOM 8 H LIG 1 2.506 -1.909 0.350 0.00 0.00 +0.147 HD BRANCH 7 9 ATOM 9 C LIG 1 3.066 0.048 -0.046 0.00 0.00 +0.106 C BRANCH 9 10 ATOM 10 C LIG 1 4.461 -0.303 -0.593 0.00 0.00 +0.008 C ATOM 11 C LIG 1 5.198 -1.314 0.300 0.00 0.00 +0.020 C ATOM 12 C LIG 1 6.632 -1.547 -0.183 0.00 0.00 +0.084 C ATOM 13 N LIG 1 7.423 -0.321 -0.332 0.00 0.00 -0.305 NA ATOM 14 C LIG 1 7.820 0.246 0.954 0.00 0.00 +0.104 C ATOM 15 C LIG 1 6.734 0.654 -1.184 0.00 0.00 +0.084 C ATOM 16 C LIG 1 5.306 0.972 -0.738 0.00 0.00 +0.020 C ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 17 ATOM 17 C LIG 1 -3.215 -0.126 1.369 0.00 0.00 +0.138 C BRANCH 17 18 ATOM 18 N LIG 1 -4.128 -0.499 0.289 0.00 0.00 -0.339 N ATOM 19 H LIG 1 -3.770 -0.187 -0.610 0.00 0.00 +0.146 HD BRANCH 18 29 ATOM 20 C LIG 1 -4.646 1.045 -2.634 0.00 0.00 +0.046 C ATOM 21 C LIG 1 -5.909 1.150 -1.858 0.00 0.00 -0.022 A ATOM 22 C LIG 1 -6.181 0.636 -0.539 0.00 0.00 +0.042 A ATOM 23 C LIG 1 -7.499 0.983 -0.248 0.00 0.00 +0.140 A ATOM 24 N LIG 1 -8.200 0.718 0.868 0.00 0.00 -0.237 NA ATOM 25 C LIG 1 -7.492 0.014 1.772 0.00 0.00 +0.115 A ATOM 26 C LIG 1 -6.174 -0.396 1.624 0.00 0.00 +0.043 A ATOM 27 N LIG 1 -8.011 1.666 -1.313 0.00 0.00 -0.346 N ATOM 28 H LIG 1 -8.954 2.022 -1.344 0.00 0.00 +0.167 HD ATOM 29 C LIG 1 -5.462 -0.078 0.456 0.00 0.00 +0.040 A ATOM 30 C LIG 1 -7.064 1.777 -2.295 0.00 0.00 +0.088 A ENDBRANCH 18 29 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 6