REMARK Name = LIG001630 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.716 0.224 -0.492 0.00 0.00 +0.027 A ATOM 2 C LIG 1 3.051 -0.999 -0.649 0.00 0.00 +0.052 A ATOM 3 C LIG 1 1.712 -1.113 -0.245 0.00 0.00 +0.091 A ATOM 4 N LIG 1 0.883 -2.206 -0.273 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -0.262 -1.787 0.215 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.223 -0.456 0.532 0.00 0.00 -0.318 N ATOM 7 C LIG 1 1.048 0.002 0.257 0.00 0.00 +0.069 A ATOM 8 C LIG 1 1.665 1.252 0.368 0.00 0.00 +0.030 A ATOM 9 C LIG 1 3.005 1.338 -0.035 0.00 0.00 +0.025 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.325 0.364 1.025 0.00 0.00 +0.175 C ATOM 11 C LIG 1 -2.358 -0.437 1.799 0.00 0.00 +0.242 C ATOM 12 O LIG 1 -2.168 -0.831 2.948 0.00 0.00 -0.273 OA ATOM 13 N LIG 1 -3.525 -0.755 1.143 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -4.199 -1.293 1.671 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -3.888 -0.447 -0.145 0.00 0.00 +0.219 C ATOM 16 O LIG 1 -4.961 -0.823 -0.606 0.00 0.00 -0.275 OA ATOM 17 C LIG 1 -2.875 0.313 -0.964 0.00 0.00 +0.099 C ATOM 18 C LIG 1 -1.997 1.185 -0.080 0.00 0.00 +0.044 C ENDBRANCH 6 10 BRANCH 1 19 ATOM 19 N LIG 1 5.017 0.382 -0.994 0.00 0.00 -0.358 N ATOM 20 H LIG 1 5.534 1.142 -0.563 0.00 0.00 +0.142 HD ATOM 21 H LIG 1 5.551 -0.482 -1.016 0.00 0.00 +0.142 HD ENDBRANCH 1 19 TORSDOF 2