REMARK Name = BDB034811 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.352 -3.017 -2.641 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -0.233 -3.909 -3.111 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -0.924 -3.144 -1.359 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -0.949 -2.113 -0.410 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -1.599 -2.340 0.790 0.00 0.00 +0.072 A ATOM 6 N LIG 1 -1.757 -1.509 1.910 0.00 0.00 -0.292 N ATOM 7 C LIG 1 -2.536 -2.181 2.877 0.00 0.00 +0.330 A ATOM 8 N LIG 1 -2.825 -3.450 2.333 0.00 0.00 -0.295 N ATOM 9 C LIG 1 -3.603 -4.473 2.970 0.00 0.00 +0.154 C ATOM 10 O LIG 1 -2.886 -1.749 3.964 0.00 0.00 -0.246 OA ATOM 11 C LIG 1 -2.252 -3.542 1.060 0.00 0.00 +0.070 A ATOM 12 C LIG 1 -2.275 -4.570 0.148 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.609 -4.357 -1.066 0.00 0.00 +0.025 A BRANCH 6 14 ATOM 14 C LIG 1 -1.233 -0.173 2.053 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 -2.149 0.878 1.425 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 -1.613 2.316 1.553 0.00 0.00 +0.062 C ATOM 17 C LIG 1 -1.573 2.795 3.006 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -2.470 3.266 0.712 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 -0.281 2.339 1.040 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 0.030 3.263 1.021 0.00 0.00 +0.210 HD ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 23 ATOM 21 C LIG 1 1.684 -0.034 -3.103 0.00 0.00 +0.220 A ATOM 22 N LIG 1 0.937 -0.983 -2.505 0.00 0.00 -0.198 NA ATOM 23 C LIG 1 0.487 -2.032 -3.226 0.00 0.00 +0.147 A ATOM 24 C LIG 1 0.782 -2.141 -4.580 0.00 0.00 +0.099 A ATOM 25 CL LIG 1 0.248 -3.450 -5.560 0.00 0.00 -0.078 Cl ATOM 26 C LIG 1 1.554 -1.143 -5.115 0.00 0.00 +0.137 A ATOM 27 N LIG 1 2.010 -0.096 -4.404 0.00 0.00 -0.221 NA BRANCH 21 32 ATOM 28 C LIG 1 2.589 1.220 2.214 0.00 0.00 +0.172 C ATOM 29 N LIG 1 2.957 2.123 1.151 0.00 0.00 -0.270 N ATOM 30 C LIG 1 2.797 1.962 -0.191 0.00 0.00 +0.059 A ATOM 31 C LIG 1 2.178 0.814 -0.911 0.00 0.00 +0.163 C ATOM 32 N LIG 1 2.102 1.065 -2.361 0.00 0.00 -0.293 N ATOM 33 C LIG 1 3.177 1.883 -2.962 0.00 0.00 +0.113 C ATOM 34 C LIG 1 3.323 3.256 -2.257 0.00 0.00 +0.057 C ATOM 35 C LIG 1 3.330 3.083 -0.786 0.00 0.00 -0.004 A ATOM 36 C LIG 1 3.776 3.876 0.280 0.00 0.00 +0.138 A ATOM 37 N LIG 1 3.549 3.299 1.465 0.00 0.00 -0.179 NA ENDBRANCH 21 32 ENDBRANCH 1 23 TORSDOF 7