REMARK Name = BDB034706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.793 -3.742 -2.570 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -0.599 -4.712 -2.797 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.701 -3.589 -1.499 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -2.048 -2.332 -0.978 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -3.018 -2.276 0.004 0.00 0.00 +0.072 A ATOM 6 N LIG 1 -3.584 -1.176 0.667 0.00 0.00 -0.292 N ATOM 7 C LIG 1 -4.546 -1.640 1.593 0.00 0.00 +0.330 A ATOM 8 N LIG 1 -4.564 -3.045 1.467 0.00 0.00 -0.295 N ATOM 9 C LIG 1 -5.403 -3.938 2.210 0.00 0.00 +0.154 C ATOM 10 O LIG 1 -5.221 -0.960 2.350 0.00 0.00 -0.246 OA ATOM 11 C LIG 1 -3.636 -3.428 0.491 0.00 0.00 +0.070 A ATOM 12 C LIG 1 -3.325 -4.678 0.007 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -2.360 -4.747 -1.006 0.00 0.00 +0.025 A BRANCH 6 14 ATOM 14 C LIG 1 -3.254 0.213 0.457 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 -2.319 0.741 1.548 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 -2.062 2.257 1.465 0.00 0.00 +0.062 C ATOM 17 C LIG 1 -1.313 2.647 0.190 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -1.275 2.723 2.694 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 -3.307 2.960 1.459 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -3.811 2.688 2.248 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 1.757 -1.159 -2.547 0.00 0.00 +0.253 A ATOM 22 N LIG 1 0.726 -1.938 -2.143 0.00 0.00 -0.194 NA ATOM 23 C LIG 1 0.290 -2.917 -2.963 0.00 0.00 +0.147 A ATOM 24 C LIG 1 0.874 -3.121 -4.208 0.00 0.00 +0.099 A ATOM 25 CL LIG 1 0.379 -4.364 -5.290 0.00 0.00 -0.078 Cl ATOM 26 C LIG 1 1.902 -2.273 -4.550 0.00 0.00 +0.138 A ATOM 27 N LIG 1 2.361 -1.292 -3.748 0.00 0.00 -0.217 NA BRANCH 21 31 ATOM 28 C LIG 1 3.503 1.372 -0.572 0.00 0.00 +0.103 A ATOM 29 C LIG 1 3.281 0.766 -1.808 0.00 0.00 +0.059 A ATOM 30 C LIG 1 3.953 0.982 -3.121 0.00 0.00 +0.066 C ATOM 31 N LIG 1 2.262 -0.167 -1.620 0.00 0.00 -0.202 N ATOM 32 N LIG 1 1.750 -0.083 -0.360 0.00 0.00 -0.168 NA ATOM 33 C LIG 1 2.523 0.796 0.280 0.00 0.00 +0.075 A ATOM 34 C LIG 1 2.275 1.050 1.723 0.00 0.00 +0.068 C BRANCH 28 35 ATOM 35 C LIG 1 4.523 2.367 -0.256 0.00 0.00 +0.343 C ATOM 36 O LIG 1 5.368 2.754 -1.054 0.00 0.00 -0.245 OA BRANCH 35 37 ATOM 37 O LIG 1 4.439 2.817 1.030 0.00 0.00 -0.461 OA BRANCH 37 39 ATOM 38 C LIG 1 4.942 5.186 1.054 0.00 0.00 +0.048 C ATOM 39 C LIG 1 5.413 3.793 1.425 0.00 0.00 +0.229 C ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 21 31 ENDBRANCH 1 23 TORSDOF 10